2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol

C149H226N6O17S3 — CID 159584409

IUPAC2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol
SMILESCC(C)(C)c1ccc(CCO)cc1.CC(C)(C)c1ccc(CCO)nc1.CC(C)(C)c1ccc(CCS(C)(=O)=O)cc1.CC(C)(C)c1ccc(CCS(C)(=O)=O)cc1.CC(C)(C)c1ccc(CCS(N)(=O)=O)cc1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(CO)nc1.CC(C)(C)c1ccc(COCCO)cc1.CC(C)(C)c1ccc(NCCO)cc1.CC(C)(C)c1ccc(OCCO)cc1.CC(C)(C)c1ccc(OCCO)nc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1
InChIInChI=1S/2C13H20O2S.C13H20O2.C12H19NO2S.C12H19NO.C12H18O2.C12H18O.C11H17NO2.C11H17NO.C11H16O.C10H15NO.C10H14.C9H13N/c2*1-13(2,3)12-7-5-11(6-8-12)9-10-16(4,14)15;1-13(2,3)12-6-4-11(5-7-12)10-15-9-8-14;1-12(2,3)11-6-4-10(5-7-11)8-9-16(13,14)15;1-12(2,3)10-4-6-11(7-5-10)13-8-9-14;1-12(2,3)10-4-6-11(7-5-10)14-9-8-13;1-12(2,3)11-6-4-10(5-7-11)8-9-13;1-11(2,3)9-4-5-10(12-8-9)14-7-6-13;1-11(2,3)9-4-5-10(6-7-13)12-8-9;1-11(2,3)10-6-4-9(8-12)5-7-10;1-10(2,3)8-4-5-9(7-12)11-6-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8/h2*5-8H,9-10H2,1-4H3;4-7,14H,8-10H2,1-3H3;4-7H,8-9H2,1-3H3,(H2,13,14,15);4-7,13-14H,8-9H2,1-3H3;4-7,13H,8-9H2,1-3H3;4-7,13H,8-9H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-7,12H,8H2,1-3H3;4-6,12H,7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3
InChIKeyMJKVUZIGAMORKA-UHFFFAOYSA-N
MW2469.67 g/mol
LogP30.09
Rot. Bonds28

About 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol

2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol (PubChem CID 159584409) has the molecular formula C149H226N6O17S3 and a molecular weight of 2469.67 g/mol. Its IUPAC name is 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol.

Molecular Properties

Compound Name2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol
PubChem CID159584409
Molecular FormulaC149H226N6O17S3
Molecular Weight2469.67 g/mol
Exact Mass2467.62
IUPAC Name2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol
SMILESCC(C)(C)c1ccc(CCO)cc1.CC(C)(C)c1ccc(CCO)nc1.CC(C)(C)c1ccc(CCS(C)(=O)=O)cc1.CC(C)(C)c1ccc(CCS(C)(=O)=O)cc1.CC(C)(C)c1ccc(CCS(N)(=O)=O)cc1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(CO)nc1.CC(C)(C)c1ccc(COCCO)cc1.CC(C)(C)c1ccc(NCCO)cc1.CC(C)(C)c1ccc(OCCO)cc1.CC(C)(C)c1ccc(OCCO)nc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1
InChIInChI=1S/2C13H20O2S.C13H20O2.C12H19NO2S.C12H19NO.C12H18O2.C12H18O.C11H17NO2.C11H17NO.C11H16O.C10H15NO.C10H14.C9H13N/c2*1-13(2,3)12-7-5-11(6-8-12)9-10-16(4,14)15;1-13(2,3)12-6-4-11(5-7-12)10-15-9-8-14;1-12(2,3)11-6-4-10(5-7-11)8-9-16(13,14)15;1-12(2,3)10-4-6-11(7-5-10)13-8-9-14;1-12(2,3)10-4-6-11(7-5-10)14-9-8-13;1-12(2,3)11-6-4-10(5-7-11)8-9-13;1-11(2,3)9-4-5-10(12-8-9)14-7-6-13;1-11(2,3)9-4-5-10(6-7-13)12-8-9;1-11(2,3)10-6-4-9(8-12)5-7-10;1-10(2,3)8-4-5-9(7-12)11-6-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8/h2*5-8H,9-10H2,1-4H3;4-7,14H,8-10H2,1-3H3;4-7H,8-9H2,1-3H3,(H2,13,14,15);4-7,13-14H,8-9H2,1-3H3;4-7,13H,8-9H2,1-3H3;4-7,13H,8-9H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-7,12H,8H2,1-3H3;4-6,12H,7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3
InChIKeyMJKVUZIGAMORKA-UHFFFAOYSA-N
XLogP30.09
TPSA381.56 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002469.67
LogP ≤ 530.09
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol with MolForge

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Related Compounds

2-(4-Tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-[(5-tert-butyl-2-pyridinyl)amino]ethanol;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)methoxy]ethanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol
CID 157167250
N-[(4-tert-butylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-(2-tert-butylsulfanylethyl)-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
CID 157382032
N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;bis(1-(4-propan-2-ylphenyl)piperazine);4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 157878844
N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 158304126

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol?
The IUPAC name of 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol (CID 159584409) is 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol.
What is the SMILES notation for 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol?
The canonical SMILES for 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol is CC(C)(C)c1ccc(CCO)cc1.CC(C)(C)c1ccc(CCO)nc1.CC(C)(C)c1ccc(CCS(C)(=O)=O)cc1.CC(C)(C)c1ccc(CCS(C)(=O)=O)cc1.CC(C)(C)c1ccc(CCS(N)(=O)=O)cc1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(CO)nc1.CC(C)(C)c1ccc(COCCO)cc1.CC(C)(C)c1ccc(NCCO)cc1.CC(C)(C)c1ccc(OCCO)cc1.CC(C)(C)c1ccc(OCCO)nc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.
What is the InChIKey of 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol?
The InChIKey is MJKVUZIGAMORKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H20O2S.C13H20O2.C12H19NO2S.C12H19NO.C12H18O2.C12H18O.C11H17NO2.C11H17NO.C11H16O.C10H15NO.C10H14.C9H13N/c2*1-13(2,3)12-7-5-11(6-8-12)9-10-16(4,14)15;1-13(2,3)12-6-4-11(5-7-12)10-15-9-8-14;1-12(2,3)11-6-4-10(5-7-11)8-9-16(13,14)15;1-12(2,3)10-4-6-11(7-5-10)13-8-9-14;1-12(2,3)10-4-6-11(7-5-10)14-9-8-13;1-12(2,3)11-6-4-10(5-7-11)8-9-13;1-11(2,3)9-4-5-10(12-8-9)14-7-6-13;1-11(2,3)9-4-5-10(6-7-13)12-8-9;1-11(2,3)10-6-4-9(8-12)5-7-10;1-10(2,3)8-4-5-9(7-12)11-6-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8/h2*5-8H,9-10H2,1-4H3;4-7,14H,8-10H2,1-3H3;4-7H,8-9H2,1-3H3,(H2,13,14,15);4-7,13-14H,8-9H2,1-3H3;4-7,13H,8-9H2,1-3H3;4-7,13H,8-9H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-7,12H,8H2,1-3H3;4-6,12H,7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3.
What are the key properties of 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol?
2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol has a molecular weight of 2469.67 g/mol, XLogP of 30.09, 28 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylanilino)ethanol;tert-butylbenzene;bis(1-tert-butyl-4-(2-methylsulfonylethyl)benzene);2-(4-tert-butylphenoxy)ethanol;2-(4-tert-butylphenyl)ethanesulfonamide;2-(4-tert-butylphenyl)ethanol;(4-tert-butylphenyl)methanol;2-[(4-tert-butylphenyl)methoxy]ethanol;3-tert-butylpyridine;2-(5-tert-butyl-2-pyridinyl)ethanol;(5-tert-butyl-2-pyridinyl)methanol;2-[(5-tert-butyl-2-pyridinyl)oxy]ethanol is sourced from PubChem (CID 159584409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).