2-tert-butylaniline;tert-butylbenzene;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-4-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;bis(4-tert-butyl-2-methylpyridine);tris(5-tert-butyl-2-methylpyridine);(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine

C171H253ClN14O3 — CID 158519035

IUPAC2-tert-butylaniline;tert-butylbenzene;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-4-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;bis(4-tert-butyl-2-methylpyridine);tris(5-tert-butyl-2-methylpyridine);(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine
SMILESCC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1CO.CC(C)(C)c1ccccc1N.CC(C)(C)c1ccccn1.CC(C)(C)c1ncccc1N.COc1ccccc1C(C)(C)C.COc1ccnc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)cnc1Cl.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/2C11H16O.C11H16.C10H14ClN.C10H15NO.9C10H15N.C10H14.C9H14N2.C9H13N/c1-11(2,3)9-7-5-6-8-10(9)12-4;1-11(2,3)10-7-5-4-6-9(10)8-12;1-9-6-5-7-10(8-9)11(2,3)4;1-7-5-8(10(2,3)4)6-12-9(7)11;1-10(2,3)9-7-8(12-4)5-6-11-9;2*1-8-7-9(5-6-11-8)10(2,3)4;3*1-8-5-6-9(7-11-8)10(2,3)4;2*1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-6-4-5-7-10-8/h5-8H,1-4H3;4-7,12H,8H2,1-3H3;5-8H,1-4H3;5-6H,1-4H3;5-7H,1-4H3;8*5-7H,1-4H3;4-7H,11H2,1-3H3;4-8H,1-3H3;4-6H,10H2,1-3H3;4-7H,1-3H3
InChIKeyHLZJBZFXTPRJTH-UHFFFAOYSA-N
MW2588.45 g/mol
LogP45.88
Rot. Bonds3

About 2-tert-butylaniline;tert-butylbenzene;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-4-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;bis(4-tert-butyl-2-methylpyridine);tris(5-tert-butyl-2-methylpyridine);(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine

2-tert-butylaniline;tert-butylbenzene;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-4-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;bis(4-tert-butyl-2-methylpyridine);tris(5-tert-butyl-2-methylpyridine);(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine (PubChem CID 158519035) has the molecular formula C171H253ClN14O3 and a molecular weight of 2588.45 g/mol. Its IUPAC name is 2-tert-butylaniline;tert-butylbenzene;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-4-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;bis(4-tert-butyl-2-methylpyridine);tris(5-tert-butyl-2-methylpyridine);(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine.

Molecular Properties

Compound Name2-tert-butylaniline;tert-butylbenzene;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-4-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;bis(4-tert-butyl-2-methylpyridine);tris(5-tert-butyl-2-methylpyridine);(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine
PubChem CID158519035
Molecular FormulaC171H253ClN14O3
Molecular Weight2588.45 g/mol
Exact Mass2585.98
IUPAC Name2-tert-butylaniline;tert-butylbenzene;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-4-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;bis(4-tert-butyl-2-methylpyridine);tris(5-tert-butyl-2-methylpyridine);(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine
SMILESCC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1CO.CC(C)(C)c1ccccc1N.CC(C)(C)c1ccccn1.CC(C)(C)c1ncccc1N.COc1ccccc1C(C)(C)C.COc1ccnc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)cnc1Cl.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/2C11H16O.C11H16.C10H14ClN.C10H15NO.9C10H15N.C10H14.C9H14N2.C9H13N/c1-11(2,3)9-7-5-6-8-10(9)12-4;1-11(2,3)10-7-5-4-6-9(10)8-12;1-9-6-5-7-10(8-9)11(2,3)4;1-7-5-8(10(2,3)4)6-12-9(7)11;1-10(2,3)9-7-8(12-4)5-6-11-9;2*1-8-7-9(5-6-11-8)10(2,3)4;3*1-8-5-6-9(7-11-8)10(2,3)4;2*1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-6-4-5-7-10-8/h5-8H,1-4H3;4-7,12H,8H2,1-3H3;5-8H,1-4H3;5-6H,1-4H3;5-7H,1-4H3;8*5-7H,1-4H3;4-7H,11H2,1-3H3;4-8H,1-3H3;4-6H,10H2,1-3H3;4-7H,1-3H3
InChIKeyHLZJBZFXTPRJTH-UHFFFAOYSA-N
XLogP45.88
TPSA245.41 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds3
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002588.45
LogP ≤ 545.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-tert-butylaniline;tert-butylbenzene;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-4-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;bis(4-tert-butyl-2-methylpyridine);tris(5-tert-butyl-2-methylpyridine);(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine with MolForge

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Related Compounds

CID 158718040
CID 158718040
CID 161031809
CID 161031809
6-Chloro-2,3-dimethylpyridine;4-chloro-2-propan-2-ylpyridine;1,2-difluoro-3,4-dimethylbenzene;1,2-difluoro-4,5-dimethylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);bis(2,3-dimethylpyridine);1-fluoro-2,3-dimethylbenzene;tris(4-fluoro-1,2-dimethylbenzene);1-fluoro-3-methyl-2-propan-2-ylbenzene;2-fluoro-6-propan-2-ylpyridine;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;(6-methyl-2-pyridinyl)methanol;2-phenyl-6-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 161049805
CID 161557499
CID 161557499
3-Bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butylaniline;tert-butylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;4-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;methane
CID 157075670
N-[[2-(dimethylamino)phenyl]-pyridin-2-ylmethyl]-2,4,6-trimethylaniline;N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-2,4,6-trimethylaniline;2-phenyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]aniline;N-[phenyl(pyridin-2-yl)methyl]-2,6-di(propan-2-yl)aniline;5-propan-2-yl-2-[(4-propan-2-ylanilino)-pyridin-2-ylmethyl]phenol
CID 158132648
Tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chloro-5-methylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-2-methylbenzene;pentakis(1-tert-butyl-3-methylbenzene);2-tert-butyl-6-methylpyridine;3-tert-butyl-5-methylpyridine;bis(4-tert-butyl-2-methylpyridine);methane
CID 158186665
4-(3,5-Ditert-butylphenyl)-2-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)pyridine;2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 158711936
1-tert-butyl-4-propan-2-ylbenzene;3-chloro-5-methyl-2-propan-2-ylpyridine;4-cyclopropyl-2-methyl-1-propan-2-ylbenzene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-(fluoromethyl)-5-methyl-2-propan-2-ylpyridine;bis(2-methoxy-4-methyl-1-propan-2-ylbenzene);5-methyl-2-propan-2-ylbenzonitrile;bis(N,N,5-trimethyl-2-propan-2-ylaniline);N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine
CID 158982006
2-[3-[4-(4-Tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 159174653
Bis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methoxyphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[4-(2-methoxyphenyl)-3-methylpentyl]quinoline;bis(8-[4-(2-methoxyphenyl)pentyl]quinoline);bis(8-[4-(2-methylphenyl)pentyl]quinoline)
CID 159368347
4-(4-Tert-butyl-2,6-dimethylphenyl)-2-chloropyridine;2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine;4-(3,5-ditert-butylphenyl)-2-(2-methoxyphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 159470075

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylaniline;tert-butylbenzene;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-4-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;bis(4-tert-butyl-2-methylpyridine);tris(5-tert-butyl-2-methylpyridine);(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine?
The IUPAC name of 2-tert-butylaniline;tert-butylbenzene;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-4-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;bis(4-tert-butyl-2-methylpyridine);tris(5-tert-butyl-2-methylpyridine);(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine (CID 158519035) is 2-tert-butylaniline;tert-butylbenzene;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-4-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;bis(4-tert-butyl-2-methylpyridine);tris(5-tert-butyl-2-methylpyridine);(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine.
What is the SMILES notation for 2-tert-butylaniline;tert-butylbenzene;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-4-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;bis(4-tert-butyl-2-methylpyridine);tris(5-tert-butyl-2-methylpyridine);(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine?
The canonical SMILES for 2-tert-butylaniline;tert-butylbenzene;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-4-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;bis(4-tert-butyl-2-methylpyridine);tris(5-tert-butyl-2-methylpyridine);(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine is CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1CO.CC(C)(C)c1ccccc1N.CC(C)(C)c1ccccn1.CC(C)(C)c1ncccc1N.COc1ccccc1C(C)(C)C.COc1ccnc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)cnc1Cl.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butylaniline;tert-butylbenzene;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-4-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;bis(4-tert-butyl-2-methylpyridine);tris(5-tert-butyl-2-methylpyridine);(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine?
The InChIKey is HLZJBZFXTPRJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H16O.C11H16.C10H14ClN.C10H15NO.9C10H15N.C10H14.C9H14N2.C9H13N/c1-11(2,3)9-7-5-6-8-10(9)12-4;1-11(2,3)10-7-5-4-6-9(10)8-12;1-9-6-5-7-10(8-9)11(2,3)4;1-7-5-8(10(2,3)4)6-12-9(7)11;1-10(2,3)9-7-8(12-4)5-6-11-9;2*1-8-7-9(5-6-11-8)10(2,3)4;3*1-8-5-6-9(7-11-8)10(2,3)4;2*1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-6-4-5-7-10-8/h5-8H,1-4H3;4-7,12H,8H2,1-3H3;5-8H,1-4H3;5-6H,1-4H3;5-7H,1-4H3;8*5-7H,1-4H3;4-7H,11H2,1-3H3;4-8H,1-3H3;4-6H,10H2,1-3H3;4-7H,1-3H3.
What are the key properties of 2-tert-butylaniline;tert-butylbenzene;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-4-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;bis(4-tert-butyl-2-methylpyridine);tris(5-tert-butyl-2-methylpyridine);(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine?
2-tert-butylaniline;tert-butylbenzene;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-4-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;bis(4-tert-butyl-2-methylpyridine);tris(5-tert-butyl-2-methylpyridine);(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine has a molecular weight of 2588.45 g/mol, XLogP of 45.88, 3 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylaniline;tert-butylbenzene;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-2-methoxybenzene;2-tert-butyl-4-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;bis(4-tert-butyl-2-methylpyridine);tris(5-tert-butyl-2-methylpyridine);(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine is sourced from PubChem (CID 158519035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).