2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol

C24H27NO2 — CID 46006776

IUPAC2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol
SMILESCOc1ccc(CN(Cc2cccc(C)c2)CC(O)c2ccccc2)cc1
InChIInChI=1S/C24H27NO2/c1-19-7-6-8-21(15-19)17-25(16-20-11-13-23(27-2)14-12-20)18-24(26)22-9-4-3-5-10-22/h3-15,24,26H,16-18H2,1-2H3
InChIKeyMNSVVPZZEMTHDF-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.74
Rot. Bonds8

About 2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol

2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol (PubChem CID 46006776) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol
PubChem CID46006776
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol
SMILESCOc1ccc(CN(Cc2cccc(C)c2)CC(O)c2ccccc2)cc1
InChIInChI=1S/C24H27NO2/c1-19-7-6-8-21(15-19)17-25(16-20-11-13-23(27-2)14-12-20)18-24(26)22-9-4-3-5-10-22/h3-15,24,26H,16-18H2,1-2H3
InChIKeyMNSVVPZZEMTHDF-UHFFFAOYSA-N
XLogP4.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 24717291
2-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]-1-phenylethanol
CID 24713596
1-(4-methoxyphenyl)-2-(3-methylphenyl)ethanol
CID 60798818
(2S)-1-(4-methoxyphenoxy)-3-[3-methylbutyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 93163150
1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol
CID 2916434
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]pentan-2-ol
CID 93162073
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46988817
(1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol
CID 129402782
(1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol
CID 28635005
1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 4662474
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162067

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol (CID 46006776) is 2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol is COc1ccc(CN(Cc2cccc(C)c2)CC(O)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol?
The InChIKey is MNSVVPZZEMTHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-19-7-6-8-21(15-19)17-25(16-20-11-13-23(27-2)14-12-20)18-24(26)22-9-4-3-5-10-22/h3-15,24,26H,16-18H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol?
2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol has a molecular weight of 361.49 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol is sourced from PubChem (CID 46006776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).