4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol

C20H27NO2 — CID 110010974

IUPAC4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol
SMILESCOc1ccc(C(NCC(C)(C)CCO)c2ccccc2)cc1
InChIInChI=1S/C20H27NO2/c1-20(2,13-14-22)15-21-19(16-7-5-4-6-8-16)17-9-11-18(23-3)12-10-17/h4-12,19,21-22H,13-15H2,1-3H3
InChIKeyFKDXOEVVIWXWOS-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.78
Rot. Bonds8

About 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol

4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol (PubChem CID 110010974) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol
PubChem CID110010974
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol
SMILESCOc1ccc(C(NCC(C)(C)CCO)c2ccccc2)cc1
InChIInChI=1S/C20H27NO2/c1-20(2,13-14-22)15-21-19(16-7-5-4-6-8-16)17-9-11-18(23-3)12-10-17/h4-12,19,21-22H,13-15H2,1-3H3
InChIKeyFKDXOEVVIWXWOS-UHFFFAOYSA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43167014
4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol
CID 103921676
N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine
CID 43235878
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]ethanol
CID 75482273
2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43403754
4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103787619
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
1-(4-methoxyphenyl)-N-[(2-methylcyclopropyl)methyl]-1-phenylmethanamine
CID 115970933
1-(benzhydrylamino)-2-methylpentan-2-ol
CID 103948284
2-[(4-methoxyphenyl)-phenylmethoxy]ethanol
CID 54566814
3-[(3,3-diphenylpropylamino)-(4-methoxyphenyl)methyl]aniline
CID 18347065

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol (CID 110010974) is 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol is COc1ccc(C(NCC(C)(C)CCO)c2ccccc2)cc1.
What is the InChIKey of 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol?
The InChIKey is FKDXOEVVIWXWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-20(2,13-14-22)15-21-19(16-7-5-4-6-8-16)17-9-11-18(23-3)12-10-17/h4-12,19,21-22H,13-15H2,1-3H3.
What are the key properties of 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol?
4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol has a molecular weight of 313.44 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 110010974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).