3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol

C18H21Cl2NO — CID 67925877

IUPAC3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol
SMILESCC(CNC(CCO)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C18H21Cl2NO/c1-13(14-5-3-2-4-6-14)12-21-18(9-10-22)15-7-8-16(19)17(20)11-15/h2-8,11,13,18,21-22H,9-10,12H2,1H3
InChIKeyZOGQRHQDFRWQDD-UHFFFAOYSA-N
MW338.28 g/mol
LogP4.81
Rot. Bonds7

About 3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol

3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol (PubChem CID 67925877) has the molecular formula C18H21Cl2NO and a molecular weight of 338.28 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol
PubChem CID67925877
Molecular FormulaC18H21Cl2NO
Molecular Weight338.28 g/mol
Exact Mass337.10
IUPAC Name3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol
SMILESCC(CNC(CCO)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C18H21Cl2NO/c1-13(14-5-3-2-4-6-14)12-21-18(9-10-22)15-7-8-16(19)17(20)11-15/h2-8,11,13,18,21-22H,9-10,12H2,1H3
InChIKeyZOGQRHQDFRWQDD-UHFFFAOYSA-N
XLogP4.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64814917
(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol
CID 102297952
1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine
CID 43096371
(3S,4S)-4-(3,4-dichlorophenyl)-4-phenylbutane-1,3-diol
CID 134968747
3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 10824416
N-[1-(3-chlorophenyl)ethyl]-2-phenylpropan-1-amine
CID 43080383
(3S)-3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 20794252
3-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83931252
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913520
tert-butyl N-[(1S)-1-(3,4-dichlorophenyl)-3-hydroxypropyl]carbamate
CID 27281740
(3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 100697175

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol (CID 67925877) is 3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol is CC(CNC(CCO)c1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol?
The InChIKey is ZOGQRHQDFRWQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO/c1-13(14-5-3-2-4-6-14)12-21-18(9-10-22)15-7-8-16(19)17(20)11-15/h2-8,11,13,18,21-22H,9-10,12H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol?
3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol has a molecular weight of 338.28 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol is sourced from PubChem (CID 67925877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).