1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol

C17H20ClNO — CID 60724627

IUPAC1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol
SMILESOC(CNCCCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c18-16-10-8-15(9-11-16)17(20)13-19-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,17,19-20H,4,7,12-13H2
InChIKeyRUVZEOZDWUMGAC-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.60
Rot. Bonds7

About 1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol

1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol (PubChem CID 60724627) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol
PubChem CID60724627
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol
SMILESOC(CNCCCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c18-16-10-8-15(9-11-16)17(20)13-19-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,17,19-20H,4,7,12-13H2
InChIKeyRUVZEOZDWUMGAC-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-nitrosophenyl)-2-(3-phenylpropylamino)ethanol
CID 143133987
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea
CID 38214845
1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60906498
2-(hydroxymethyl)-4-[1-hydroxy-2-(3-phenylpropylamino)ethyl]phenol
CID 173131334
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937560
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid
CID 67789654
1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577747
2-chloro-N-(3-phenylpropyl)propan-1-amine
CID 65024000
1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 60724741
1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol
CID 82312948

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol (CID 60724627) is 1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol is OC(CNCCCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol?
The InChIKey is RUVZEOZDWUMGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c18-16-10-8-15(9-11-16)17(20)13-19-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,17,19-20H,4,7,12-13H2.
What are the key properties of 1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol?
1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol has a molecular weight of 289.81 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol is sourced from PubChem (CID 60724627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).