2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol

C18H23NO2 — CID 63260760

IUPAC2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
SMILESCOc1cccc(C(C)NC(CO)Cc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-14(16-9-6-10-18(12-16)21-2)19-17(13-20)11-15-7-4-3-5-8-15/h3-10,12,14,17,19-20H,11,13H2,1-2H3
InChIKeyHVBKJZCZXYLTMH-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.95
Rot. Bonds7

About 2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol

2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol (PubChem CID 63260760) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
PubChem CID63260760
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
SMILESCOc1cccc(C(C)NC(CO)Cc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-14(16-9-6-10-18(12-16)21-2)19-17(13-20)11-15-7-4-3-5-8-15/h3-10,12,14,17,19-20H,11,13H2,1-2H3
InChIKeyHVBKJZCZXYLTMH-UHFFFAOYSA-N
XLogP2.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81354744
(3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
CID 111755727
(2R)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 104926128
(2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 94212365
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766
1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 43191851
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81376515
methyl 2-(3-methoxyphenyl)-3-phenylpropanoate
CID 21257567
N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720331
(2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 175732345
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 104881509
2-[(2-methoxy-1-phenylethyl)amino]-3-phenylpropan-1-ol
CID 103464251

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol (CID 63260760) is 2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol is COc1cccc(C(C)NC(CO)Cc2ccccc2)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol?
The InChIKey is HVBKJZCZXYLTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(16-9-6-10-18(12-16)21-2)19-17(13-20)11-15-7-4-3-5-8-15/h3-10,12,14,17,19-20H,11,13H2,1-2H3.
What are the key properties of 2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol?
2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 63260760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).