2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol

C18H22ClNO — CID 63260675

IUPAC2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol
SMILESCCC(NC(CO)Cc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-2-18(15-9-6-10-16(19)12-15)20-17(13-21)11-14-7-4-3-5-8-14/h3-10,12,17-18,20-21H,2,11,13H2,1H3
InChIKeyJELQCDTYRGHWPW-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.98
Rot. Bonds7

About 2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol

2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol (PubChem CID 63260675) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol
PubChem CID63260675
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol
SMILESCCC(NC(CO)Cc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-2-18(15-9-6-10-16(19)12-15)20-17(13-21)11-14-7-4-3-5-8-14/h3-10,12,17-18,20-21H,2,11,13H2,1H3
InChIKeyJELQCDTYRGHWPW-UHFFFAOYSA-N
XLogP3.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
CID 43694879
(2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol
CID 103788766
N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine
CID 43110456
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
(2S)-2-[1-(3-chlorophenyl)propylamino]-3-methylbutan-1-ol
CID 79254830
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
2-[(2-methoxy-1-phenylethyl)amino]-3-phenylpropan-1-ol
CID 103464251
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
(2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butan-1-ol
CID 28724284
N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine
CID 43695932

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol (CID 63260675) is 2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol is CCC(NC(CO)Cc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol?
The InChIKey is JELQCDTYRGHWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-2-18(15-9-6-10-16(19)12-15)20-17(13-21)11-14-7-4-3-5-8-14/h3-10,12,17-18,20-21H,2,11,13H2,1H3.
What are the key properties of 2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol?
2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol has a molecular weight of 303.83 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 63260675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).