(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol

C17H21NO2 — CID 54310024

IUPAC(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
SMILESCOc1ccccc1CN[C@@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-13(17(19)14-8-4-3-5-9-14)18-12-15-10-6-7-11-16(15)20-2/h3-11,13,17-19H,12H2,1-2H3/t13-,17-/m0/s1
InChIKeySKFKVJBOGIQGCP-GUYCJALGSA-N
MW271.36 g/mol
LogP2.91
Rot. Bonds6

About (1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol

(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol (PubChem CID 54310024) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
PubChem CID54310024
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
SMILESCOc1ccccc1CN[C@@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-13(17(19)14-8-4-3-5-9-14)18-12-15-10-6-7-11-16(15)20-2/h3-11,13,17-19H,12H2,1-2H3/t13-,17-/m0/s1
InChIKeySKFKVJBOGIQGCP-GUYCJALGSA-N
XLogP2.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol
CID 667229
2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 12999288
1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol
CID 111478472
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623
4-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]propyl]phenol
CID 110185141
2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine
CID 61227088
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine
CID 22405942
(1R,2S)-1-N-cyclohexyl-2-N-[(2-methoxyphenyl)methyl]-1-phenylpropane-1,2-diamine
CID 15285881
(1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol
CID 138732462
methyl (2S,3S)-3-hydroxy-2-[(2-methoxyphenyl)methylamino]butanoate
CID 99791945

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol (CID 54310024) is (1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol is COc1ccccc1CN[C@@H](C)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol?
The InChIKey is SKFKVJBOGIQGCP-GUYCJALGSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(17(19)14-8-4-3-5-9-14)18-12-15-10-6-7-11-16(15)20-2/h3-11,13,17-19H,12H2,1-2H3/t13-,17-/m0/s1.
What are the key properties of (1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol?
(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 54310024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).