(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol

C17H21NO2 — CID 104922945

IUPAC(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
SMILESCOc1ccc(CN[C@@H](CO)Cc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-20-17-9-7-15(8-10-17)12-18-16(13-19)11-14-5-3-2-4-6-14/h2-10,16,18-19H,11-13H2,1H3/t16-/m1/s1
InChIKeyRLEWETXUFNVGPG-MRXNPFEDSA-N
MW271.36 g/mol
LogP2.39
Rot. Bonds7

About (2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol

(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 104922945) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
PubChem CID104922945
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
SMILESCOc1ccc(CN[C@@H](CO)Cc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-20-17-9-7-15(8-10-17)12-18-16(13-19)11-14-5-3-2-4-6-14/h2-10,16,18-19H,11-13H2,1H3/t16-/m1/s1
InChIKeyRLEWETXUFNVGPG-MRXNPFEDSA-N
XLogP2.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-3-(3,4-dimethoxyphenyl)propan-1-ol
CID 59712221
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 65323842
(2S)-3-[4-(2-ethoxyethoxy)phenyl]-2-[(4-methoxyphenyl)methylamino]propan-1-ol
CID 171057812
2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol
CID 66523313
(2S)-2-(2-hydroxypropylamino)-3-(4-methoxyphenyl)propan-1-ol
CID 154008770
(2S)-N-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propan-2-amine
CID 101474100
(2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol
CID 101210967
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]benzonitrile
CID 102610093
benzyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate
CID 10690881
N-[(4-butoxyphenyl)methyl]-1,3-diphenylpropan-2-amine
CID 97301836
(2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922947

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol (CID 104922945) is (2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol is COc1ccc(CN[C@@H](CO)Cc2ccccc2)cc1.
What is the InChIKey of (2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is RLEWETXUFNVGPG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21NO2/c1-20-17-9-7-15(8-10-17)12-18-16(13-19)11-14-5-3-2-4-6-14/h2-10,16,18-19H,11-13H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol?
(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 104922945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).