(1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol

C18H23NO2 — CID 29222092

IUPAC(1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol
SMILESCCCOc1cccc(CNC[C@H](O)c2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-2-11-21-17-10-6-7-15(12-17)13-19-14-18(20)16-8-4-3-5-9-16/h3-10,12,18-20H,2,11,13-14H2,1H3/t18-/m0/s1
InChIKeyNXJKRPCYPMWMKW-SFHVURJKSA-N
MW285.39 g/mol
LogP3.30
Rot. Bonds8

About (1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol

(1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol (PubChem CID 29222092) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol
PubChem CID29222092
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol
SMILESCCCOc1cccc(CNC[C@H](O)c2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-2-11-21-17-10-6-7-15(12-17)13-19-14-18(20)16-8-4-3-5-9-16/h3-10,12,18-20H,2,11,13-14H2,1H3/t18-/m0/s1
InChIKeyNXJKRPCYPMWMKW-SFHVURJKSA-N
XLogP3.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 4720510
2-[(dimethylamino)methyl]-1-phenyl-3-[(3-propoxyphenyl)methylamino]propan-1-ol
CID 51125969
2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17055126
(1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 124700879
1-[(3-butoxyphenyl)methylamino]propan-2-ol
CID 54849199
(1S)-2-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993453
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine
CID 54848596
(1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993379
3-(3-ethylphenoxy)-1-phenylpropan-1-ol
CID 116693327
4-[3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenoxy]butanenitrile
CID 119108897
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol?
The IUPAC name of (1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol (CID 29222092) is (1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol.
What is the SMILES notation for (1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol?
The canonical SMILES for (1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol is CCCOc1cccc(CNC[C@H](O)c2ccccc2)c1.
What is the InChIKey of (1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol?
The InChIKey is NXJKRPCYPMWMKW-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-11-21-17-10-6-7-15(12-17)13-19-14-18(20)16-8-4-3-5-9-16/h3-10,12,18-20H,2,11,13-14H2,1H3/t18-/m0/s1.
What are the key properties of (1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol?
(1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol has a molecular weight of 285.39 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 29222092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).