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

C18H23NO2 — CID 111755727

IUPAC(3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
SMILESCOc1cccc(C(C)N[C@H](CCO)c2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-14(16-9-6-10-17(13-16)21-2)19-18(11-12-20)15-7-4-3-5-8-15/h3-10,13-14,18-20H,11-12H2,1-2H3/t14?,18-/m1/s1
InChIKeyGCXFPIFZDKJXLZ-XPKAQORNSA-N
MW285.39 g/mol
LogP3.47
Rot. Bonds7

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

(3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol (PubChem CID 111755727) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
PubChem CID111755727
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
SMILESCOc1cccc(C(C)N[C@H](CCO)c2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-14(16-9-6-10-17(13-16)21-2)19-18(11-12-20)15-7-4-3-5-8-15/h3-10,13-14,18-20H,11-12H2,1-2H3/t14?,18-/m1/s1
InChIKeyGCXFPIFZDKJXLZ-XPKAQORNSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720331
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-3-phenylpropanenitrile
CID 81354880
(2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 94212365
ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol
CID 91197048
2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260760
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81354744
2-(furan-2-yl)-2-[1-(3-methoxyphenyl)ethylamino]ethanol
CID 111755821
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81376515
(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103784104
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766
4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
CID 60944294
1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 43191851

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol?
The IUPAC name of (3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol (CID 111755727) is (3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol is COc1cccc(C(C)N[C@H](CCO)c2ccccc2)c1.
What is the InChIKey of (3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol?
The InChIKey is GCXFPIFZDKJXLZ-XPKAQORNSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(16-9-6-10-17(13-16)21-2)19-18(11-12-20)15-7-4-3-5-8-15/h3-10,13-14,18-20H,11-12H2,1-2H3/t14?,18-/m1/s1.
What are the key properties of (3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol?
(3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 111755727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).