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

C25H29NO3 — CID 93162067

IUPAC(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESCOc1cccc(CN(Cc2ccccc2)C[C@H](O)COCc2ccccc2)c1
InChIInChI=1S/C25H29NO3/c1-28-25-14-8-13-23(15-25)17-26(16-21-9-4-2-5-10-21)18-24(27)20-29-19-22-11-6-3-7-12-22/h2-15,24,27H,16-20H2,1H3/t24-/m0/s1
InChIKeyASDPXKNSBOKTEP-DEOSSOPVSA-N
MW391.51 g/mol
LogP4.28
Rot. Bonds11

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

(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol (PubChem CID 93162067) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is (2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
PubChem CID93162067
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESCOc1cccc(CN(Cc2ccccc2)C[C@H](O)COCc2ccccc2)c1
InChIInChI=1S/C25H29NO3/c1-28-25-14-8-13-23(15-25)17-26(16-21-9-4-2-5-10-21)18-24(27)20-29-19-22-11-6-3-7-12-22/h2-15,24,27H,16-20H2,1H3/t24-/m0/s1
InChIKeyASDPXKNSBOKTEP-DEOSSOPVSA-N
XLogP4.28
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007135
(2R)-1-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 99732505
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]pentan-2-ol
CID 93162073
(2S)-1-[(3-methoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162908
(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol
CID 93160595
(2R)-1-[1,3-benzodioxol-5-ylmethyl-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93163983
1-[benzyl-[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 132585804
[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 46007143
(2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 93161480
1-[cyclopropylmethyl-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007631
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93164962
(2R)-1-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 93162198

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol (CID 93162067) is (2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol is COc1cccc(CN(Cc2ccccc2)C[C@H](O)COCc2ccccc2)c1.
What is the InChIKey of (2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is ASDPXKNSBOKTEP-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H29NO3/c1-28-25-14-8-13-23(15-25)17-26(16-21-9-4-2-5-10-21)18-24(27)20-29-19-22-11-6-3-7-12-22/h2-15,24,27H,16-20H2,1H3/t24-/m0/s1.
What are the key properties of (2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 391.51 g/mol, XLogP of 4.28, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 93162067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).