3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-methylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanol;1-(3-tert-butylphenyl)ethanone;(3-tert-butylphenyl)methanol;N-(3-tert-butylphenyl)-N-methylacetamide;2-(3-tert-butylphenyl)-1,3-oxazole;molecular hydrogen

C192H265Cl2F4N5O8 — CID 159353176

IUPAC3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-methylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanol;1-(3-tert-butylphenyl)ethanone;(3-tert-butylphenyl)methanol;N-(3-tert-butylphenyl)-N-methylacetamide;2-(3-tert-butylphenyl)-1,3-oxazole;molecular hydrogen
SMILESC#Cc1cccc(C(C)(C)C)c1.CC(=O)N(C)c1cccc(C(C)(C)C)c1.CC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(-c2ncco2)c1.CC(C)(C)c1cccc(C(=O)O)c1.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(N)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(O)c1cccc(C(C)(C)C)c1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.CN(C)Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1F.Cc1ccccc1C(C)(C)C.[H][H]
InChIInChI=1S/C13H15NO.2C13H19NO.C13H21N.C12H18O.C12H16O.C12H14.C11H15F.C11H14O2.C11H16O.C11H16.2C10H13Cl.C10H12F2.C10H13F.C10H15N.C10H14.H2/c1-13(2,3)11-6-4-5-10(9-11)12-14-7-8-15-12;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;1-10(15)14(5)12-8-6-7-11(9-12)13(2,3)4;1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;2*1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-5-10-7-6-8-11(9-10)12(2,3)4;1-8-6-5-7-9(10(8)12)11(2,3)4;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-11(2,3)10-6-4-5-9(7-10)8-12;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-7-5-4-6-8-9;/h4-9H,1-3H3;2*6-9H,1-5H3;6-9H,10H2,1-5H3;5-9,13H,1-4H3;5-8H,1-4H3;1,6-9H,2-4H3;5-7H,1-4H3;4-7H,1-3H3,(H,12,13);4-7,12H,8H2,1-3H3;5-8H,1-4H3;2*4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-7H,11H2,1-3H3;4-8H,1-3H3;1H
InChIKeyLHOXSQVKEPTPNB-UHFFFAOYSA-N
MW2918.16 g/mol
LogP52.87
Rot. Bonds9

About 3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-methylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanol;1-(3-tert-butylphenyl)ethanone;(3-tert-butylphenyl)methanol;N-(3-tert-butylphenyl)-N-methylacetamide;2-(3-tert-butylphenyl)-1,3-oxazole;molecular hydrogen

3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-methylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanol;1-(3-tert-butylphenyl)ethanone;(3-tert-butylphenyl)methanol;N-(3-tert-butylphenyl)-N-methylacetamide;2-(3-tert-butylphenyl)-1,3-oxazole;molecular hydrogen (PubChem CID 159353176) has the molecular formula C192H265Cl2F4N5O8 and a molecular weight of 2918.16 g/mol. Its IUPAC name is 3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-methylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanol;1-(3-tert-butylphenyl)ethanone;(3-tert-butylphenyl)methanol;N-(3-tert-butylphenyl)-N-methylacetamide;2-(3-tert-butylphenyl)-1,3-oxazole;molecular hydrogen.

Molecular Properties

Compound Name3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-methylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanol;1-(3-tert-butylphenyl)ethanone;(3-tert-butylphenyl)methanol;N-(3-tert-butylphenyl)-N-methylacetamide;2-(3-tert-butylphenyl)-1,3-oxazole;molecular hydrogen
PubChem CID159353176
Molecular FormulaC192H265Cl2F4N5O8
Molecular Weight2918.16 g/mol
Exact Mass2914.98
IUPAC Name3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-methylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanol;1-(3-tert-butylphenyl)ethanone;(3-tert-butylphenyl)methanol;N-(3-tert-butylphenyl)-N-methylacetamide;2-(3-tert-butylphenyl)-1,3-oxazole;molecular hydrogen
SMILESC#Cc1cccc(C(C)(C)C)c1.CC(=O)N(C)c1cccc(C(C)(C)C)c1.CC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(-c2ncco2)c1.CC(C)(C)c1cccc(C(=O)O)c1.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(N)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(O)c1cccc(C(C)(C)C)c1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.CN(C)Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1F.Cc1ccccc1C(C)(C)C.[H][H]
InChIInChI=1S/C13H15NO.2C13H19NO.C13H21N.C12H18O.C12H16O.C12H14.C11H15F.C11H14O2.C11H16O.C11H16.2C10H13Cl.C10H12F2.C10H13F.C10H15N.C10H14.H2/c1-13(2,3)11-6-4-5-10(9-11)12-14-7-8-15-12;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;1-10(15)14(5)12-8-6-7-11(9-12)13(2,3)4;1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;2*1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-5-10-7-6-8-11(9-10)12(2,3)4;1-8-6-5-7-9(10(8)12)11(2,3)4;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-11(2,3)10-6-4-5-9(7-10)8-12;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-7-5-4-6-8-9;/h4-9H,1-3H3;2*6-9H,1-5H3;6-9H,10H2,1-5H3;5-9,13H,1-4H3;5-8H,1-4H3;1,6-9H,2-4H3;5-7H,1-4H3;4-7H,1-3H3,(H,12,13);4-7,12H,8H2,1-3H3;5-8H,1-4H3;2*4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-7H,11H2,1-3H3;4-8H,1-3H3;1H
InChIKeyLHOXSQVKEPTPNB-UHFFFAOYSA-N
XLogP52.87
TPSA190.74 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms211
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002918.16
LogP ≤ 552.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-methylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanol;1-(3-tert-butylphenyl)ethanone;(3-tert-butylphenyl)methanol;N-(3-tert-butylphenyl)-N-methylacetamide;2-(3-tert-butylphenyl)-1,3-oxazole;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,3-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;3-tert-butyl-N-methyl-N-prop-1-en-2-ylaniline;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanone;N-(3-tert-butylphenyl)methanesulfonamide;(3-tert-butylphenyl)methanol;2-(3-tert-butylphenyl)-1,3-oxazole;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-prop-1-en-2-ylbenzene;methane
CID 158903249
2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;tris(1-tert-butyl-2-methylbenzene);(4-tert-butyl-5-methyl-3-pyridinyl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene
CID 157397374
tert-butylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-chloro-4-propan-2-ylbenzene;1,2-dimethoxy-3-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;methyl 4-tert-butylbenzoate;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;4-propan-2-ylbenzamide;4-propan-2-ylbenzoic acid;(4-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)propan-1-one
CID 160807971
3-[[(2-amino-2-oxo-1-phenylethyl)-(4-chlorophenyl)sulfonylamino]methyl]benzoic acid
CID 21075529
3-(2-chloro-6-methylphenyl)-N-(3-ethynylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 90352685
tert-butylbenzene;1-tert-butyl-4-isocyanobenzene;1-chloro-4-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;methyl 4-tert-butylbenzoate;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzamide;4-propan-2-ylbenzoic acid;(4-propan-2-ylphenyl)methanol;1-(4-propan-2-ylphenyl)propan-1-one
CID 159399983
N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide
CID 43460200
tert-butyl 5-propan-2-ylindole-1-carboxylate;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;methane;methyl 4-tert-butylbenzoate;3-methylbut-1-ynylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylphenol;1-methyl-3-(4-propan-2-ylphenyl)benzene;4-(2-propan-2-ylphenyl)aniline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)piperidine;1-(4-propan-2-ylphenyl)piperidine;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine
CID 162033224
N-[1-(3-aminophenyl)-2-(benzylamino)-2-oxoethyl]-N-(3-chloro-2-fluorophenyl)prop-2-ynamide
CID 166630014
3-[[4-[[1-[3,5-difluoro-2-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methoxy]-N-methylanilino]methyl]benzoic acid
CID 67527912
N-[1-(5-chloro-2-pyridinyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzohydrazide
CID 89360564
3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide
CID 43002771

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-methylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanol;1-(3-tert-butylphenyl)ethanone;(3-tert-butylphenyl)methanol;N-(3-tert-butylphenyl)-N-methylacetamide;2-(3-tert-butylphenyl)-1,3-oxazole;molecular hydrogen?
The IUPAC name of 3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-methylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanol;1-(3-tert-butylphenyl)ethanone;(3-tert-butylphenyl)methanol;N-(3-tert-butylphenyl)-N-methylacetamide;2-(3-tert-butylphenyl)-1,3-oxazole;molecular hydrogen (CID 159353176) is 3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-methylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanol;1-(3-tert-butylphenyl)ethanone;(3-tert-butylphenyl)methanol;N-(3-tert-butylphenyl)-N-methylacetamide;2-(3-tert-butylphenyl)-1,3-oxazole;molecular hydrogen.
What is the SMILES notation for 3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-methylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanol;1-(3-tert-butylphenyl)ethanone;(3-tert-butylphenyl)methanol;N-(3-tert-butylphenyl)-N-methylacetamide;2-(3-tert-butylphenyl)-1,3-oxazole;molecular hydrogen?
The canonical SMILES for 3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-methylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanol;1-(3-tert-butylphenyl)ethanone;(3-tert-butylphenyl)methanol;N-(3-tert-butylphenyl)-N-methylacetamide;2-(3-tert-butylphenyl)-1,3-oxazole;molecular hydrogen is C#Cc1cccc(C(C)(C)C)c1.CC(=O)N(C)c1cccc(C(C)(C)C)c1.CC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(-c2ncco2)c1.CC(C)(C)c1cccc(C(=O)O)c1.CC(C)(C)c1cccc(CO)c1.CC(C)(C)c1cccc(N)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(O)c1cccc(C(C)(C)C)c1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.CN(C)Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1F.Cc1ccccc1C(C)(C)C.[H][H].
What is the InChIKey of 3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-methylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanol;1-(3-tert-butylphenyl)ethanone;(3-tert-butylphenyl)methanol;N-(3-tert-butylphenyl)-N-methylacetamide;2-(3-tert-butylphenyl)-1,3-oxazole;molecular hydrogen?
The InChIKey is LHOXSQVKEPTPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.2C13H19NO.C13H21N.C12H18O.C12H16O.C12H14.C11H15F.C11H14O2.C11H16O.C11H16.2C10H13Cl.C10H12F2.C10H13F.C10H15N.C10H14.H2/c1-13(2,3)11-6-4-5-10(9-11)12-14-7-8-15-12;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;1-10(15)14(5)12-8-6-7-11(9-12)13(2,3)4;1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;2*1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-5-10-7-6-8-11(9-10)12(2,3)4;1-8-6-5-7-9(10(8)12)11(2,3)4;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-11(2,3)10-6-4-5-9(7-10)8-12;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-7-5-4-6-8-9;/h4-9H,1-3H3;2*6-9H,1-5H3;6-9H,10H2,1-5H3;5-9,13H,1-4H3;5-8H,1-4H3;1,6-9H,2-4H3;5-7H,1-4H3;4-7H,1-3H3,(H,12,13);4-7,12H,8H2,1-3H3;5-8H,1-4H3;2*4-7H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-7H,11H2,1-3H3;4-8H,1-3H3;1H.
What are the key properties of 3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-methylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanol;1-(3-tert-butylphenyl)ethanone;(3-tert-butylphenyl)methanol;N-(3-tert-butylphenyl)-N-methylacetamide;2-(3-tert-butylphenyl)-1,3-oxazole;molecular hydrogen?
3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-methylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanol;1-(3-tert-butylphenyl)ethanone;(3-tert-butylphenyl)methanol;N-(3-tert-butylphenyl)-N-methylacetamide;2-(3-tert-butylphenyl)-1,3-oxazole;molecular hydrogen has a molecular weight of 2918.16 g/mol, XLogP of 52.87, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylaniline;tert-butylbenzene;3-tert-butylbenzoic acid;1-tert-butyl-2-chlorobenzene;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1,2-difluorobenzene;3-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-methylbenzene;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-(3-tert-butylphenyl)ethanol;1-(3-tert-butylphenyl)ethanone;(3-tert-butylphenyl)methanol;N-(3-tert-butylphenyl)-N-methylacetamide;2-(3-tert-butylphenyl)-1,3-oxazole;molecular hydrogen is sourced from PubChem (CID 159353176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).