(1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol

C17H21NO2 — CID 94281330

IUPAC(1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc([C@H](O)CCNCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-20-16-9-7-15(8-10-16)17(19)11-12-18-13-14-5-3-2-4-6-14/h2-10,17-19H,11-13H2,1H3/t17-/m1/s1
InChIKeyLKYOYKKJRJYJFU-QGZVFWFLSA-N
MW271.36 g/mol
LogP2.91
Rot. Bonds7

About (1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol

(1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol (PubChem CID 94281330) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol
PubChem CID94281330
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc([C@H](O)CCNCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-20-16-9-7-15(8-10-16)17(19)11-12-18-13-14-5-3-2-4-6-14/h2-10,17-19H,11-13H2,1H3/t17-/m1/s1
InChIKeyLKYOYKKJRJYJFU-QGZVFWFLSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol
CID 110174261
N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
CID 71690034
(1S)-1-(4-methoxyphenyl)-3-(2-methylanilino)propan-1-ol
CID 94281332
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
(1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol
CID 134955174
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methylheptan-1-amine
CID 3958867
N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 97038625
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 12648153
(2S,3S)-5-(benzylamino)pentane-1,2,3-triol
CID 22804690
(1R)-1-phenyl-3-(2-phenylethylamino)propan-1-ol
CID 94271411
4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of (1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol (CID 94281330) is (1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for (1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for (1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol is COc1ccc([C@H](O)CCNCc2ccccc2)cc1.
What is the InChIKey of (1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol?
The InChIKey is LKYOYKKJRJYJFU-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO2/c1-20-16-9-7-15(8-10-16)17(19)11-12-18-13-14-5-3-2-4-6-14/h2-10,17-19H,11-13H2,1H3/t17-/m1/s1.
What are the key properties of (1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol?
(1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 94281330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).