(1R,2S)-N-benzyl-1-phenyl-2,3-bis(phenylmethoxy)propan-1-amine

C30H31NO2 — CID 11812191

IUPAC(1R,2S)-N-benzyl-1-phenyl-2,3-bis(phenylmethoxy)propan-1-amine
SMILESc1ccc(CN[C@H](c2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C30H31NO2/c1-5-13-25(14-6-1)21-31-30(28-19-11-4-12-20-28)29(33-23-27-17-9-3-10-18-27)24-32-22-26-15-7-2-8-16-26/h1-20,29-31H,21-24H2/t29-,30-/m1/s1
InChIKeyMIPKPHFMBMAVTR-LOYHVIPDSA-N
MW437.58 g/mol
LogP6.32
Rot. Bonds12

About (1R,2S)-N-benzyl-1-phenyl-2,3-bis(phenylmethoxy)propan-1-amine

(1R,2S)-N-benzyl-1-phenyl-2,3-bis(phenylmethoxy)propan-1-amine (PubChem CID 11812191) has the molecular formula C30H31NO2 and a molecular weight of 437.58 g/mol. Its IUPAC name is (1R,2S)-N-benzyl-1-phenyl-2,3-bis(phenylmethoxy)propan-1-amine.

Molecular Properties

Compound Name(1R,2S)-N-benzyl-1-phenyl-2,3-bis(phenylmethoxy)propan-1-amine
PubChem CID11812191
Molecular FormulaC30H31NO2
Molecular Weight437.58 g/mol
Exact Mass437.24
IUPAC Name(1R,2S)-N-benzyl-1-phenyl-2,3-bis(phenylmethoxy)propan-1-amine
SMILESc1ccc(CN[C@H](c2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C30H31NO2/c1-5-13-25(14-6-1)21-31-30(28-19-11-4-12-20-28)29(33-23-27-17-9-3-10-18-27)24-32-22-26-15-7-2-8-16-26/h1-20,29-31H,21-24H2/t29-,30-/m1/s1
InChIKeyMIPKPHFMBMAVTR-LOYHVIPDSA-N
XLogP6.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2S)-N-benzyl-1-phenyl-2,3-bis(phenylmethoxy)propan-1-amine 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

(2R,3S)-2-(benzylamino)-3,4-bis(phenylmethoxy)butanenitrile
CID 11825219
(2S,3S)-N-benzyl-1,2-bis(phenylmethoxy)hex-5-en-3-amine
CID 101218139
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
(2-methyl-4-phenylbutan-2-yl) N-[(2S)-1-phenyl-2,3-bis(phenylmethoxy)propyl]carbamate
CID 90783516
(2S)-N-benzyl-1-phenylmethoxybut-3-en-2-amine
CID 23583582
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
CID 122226978
(2R,3S)-3-(benzylamino)-3-(2-bromophenyl)-2-phenylmethoxypropan-1-ol
CID 44583457
(1S,2S)-N,N'-bis[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1,2-diphenylethane-1,2-diamine
CID 177391195
(3S)-2-amino-3,4-bis(phenylmethoxy)butanenitrile
CID 142485430
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
N-benzyl-2-ethyl-1-phenylbutan-1-amine
CID 43734682
(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
CID 14303090

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-N-benzyl-1-phenyl-2,3-bis(phenylmethoxy)propan-1-amine?
The IUPAC name of (1R,2S)-N-benzyl-1-phenyl-2,3-bis(phenylmethoxy)propan-1-amine (CID 11812191) is (1R,2S)-N-benzyl-1-phenyl-2,3-bis(phenylmethoxy)propan-1-amine.
What is the SMILES notation for (1R,2S)-N-benzyl-1-phenyl-2,3-bis(phenylmethoxy)propan-1-amine?
The canonical SMILES for (1R,2S)-N-benzyl-1-phenyl-2,3-bis(phenylmethoxy)propan-1-amine is c1ccc(CN[C@H](c2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)cc1.
What is the InChIKey of (1R,2S)-N-benzyl-1-phenyl-2,3-bis(phenylmethoxy)propan-1-amine?
The InChIKey is MIPKPHFMBMAVTR-LOYHVIPDSA-N. The full InChI is InChI=1S/C30H31NO2/c1-5-13-25(14-6-1)21-31-30(28-19-11-4-12-20-28)29(33-23-27-17-9-3-10-18-27)24-32-22-26-15-7-2-8-16-26/h1-20,29-31H,21-24H2/t29-,30-/m1/s1.
What are the key properties of (1R,2S)-N-benzyl-1-phenyl-2,3-bis(phenylmethoxy)propan-1-amine?
(1R,2S)-N-benzyl-1-phenyl-2,3-bis(phenylmethoxy)propan-1-amine has a molecular weight of 437.58 g/mol, XLogP of 6.32, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-N-benzyl-1-phenyl-2,3-bis(phenylmethoxy)propan-1-amine is sourced from PubChem (CID 11812191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).