(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol

C25H29NO2 — CID 93164962

IUPAC(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESCc1ccccc1CN(Cc1ccccc1)C[C@H](O)COCc1ccccc1
InChIInChI=1S/C25H29NO2/c1-21-10-8-9-15-24(21)17-26(16-22-11-4-2-5-12-22)18-25(27)20-28-19-23-13-6-3-7-14-23/h2-15,25,27H,16-20H2,1H3/t25-/m0/s1
InChIKeyFXWNNWBJKVRPLE-VWLOTQADSA-N
MW375.51 g/mol
LogP4.57
Rot. Bonds10

About (2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol

(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol (PubChem CID 93164962) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is (2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
PubChem CID93164962
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESCc1ccccc1CN(Cc1ccccc1)C[C@H](O)COCc1ccccc1
InChIInChI=1S/C25H29NO2/c1-21-10-8-9-15-24(21)17-26(16-22-11-4-2-5-12-22)18-25(27)20-28-19-23-13-6-3-7-14-23/h2-15,25,27H,16-20H2,1H3/t25-/m0/s1
InChIKeyFXWNNWBJKVRPLE-VWLOTQADSA-N
XLogP4.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol 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

1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-phenylmethoxypropan-2-ol
CID 46007981
(2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 93161480
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162067
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]hex-5-en-2-ol
CID 93164977
1-[(3-methoxyphenyl)methoxy]-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-ol
CID 78782772
(2R)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-3-phenylmethoxypropan-2-ol
CID 7419693
1-[benzyl-[(4-methylphenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46007539
(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol
CID 93160595
1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007114
(2S)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93163720
(2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 168984483
1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 46006806

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol (CID 93164962) is (2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol is Cc1ccccc1CN(Cc1ccccc1)C[C@H](O)COCc1ccccc1.
What is the InChIKey of (2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is FXWNNWBJKVRPLE-VWLOTQADSA-N. The full InChI is InChI=1S/C25H29NO2/c1-21-10-8-9-15-24(21)17-26(16-22-11-4-2-5-12-22)18-25(27)20-28-19-23-13-6-3-7-14-23/h2-15,25,27H,16-20H2,1H3/t25-/m0/s1.
What are the key properties of (2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 375.51 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 93164962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).