2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol

C16H27ClN2O — CID 62645398

IUPAC2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
SMILESCCCN(CCO)CCC(NCC)c1ccc(Cl)cc1
InChIInChI=1S/C16H27ClN2O/c1-3-10-19(12-13-20)11-9-16(18-4-2)14-5-7-15(17)8-6-14/h5-8,16,18,20H,3-4,9-13H2,1-2H3
InChIKeyZOXABMXISKDELG-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.09
Rot. Bonds10

About 2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol

2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol (PubChem CID 62645398) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
PubChem CID62645398
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
SMILESCCCN(CCO)CCC(NCC)c1ccc(Cl)cc1
InChIInChI=1S/C16H27ClN2O/c1-3-10-19(12-13-20)11-9-16(18-4-2)14-5-7-15(17)8-6-14/h5-8,16,18,20H,3-4,9-13H2,1-2H3
InChIKeyZOXABMXISKDELG-UHFFFAOYSA-N
XLogP3.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643636
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62643420
2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 82775218
1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine
CID 63690707
N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62617865
2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62618754
1-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947
2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol
CID 107486486
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107401588
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62644843
2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol
CID 62617730

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol?
The IUPAC name of 2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol (CID 62645398) is 2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol is CCCN(CCO)CCC(NCC)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol?
The InChIKey is ZOXABMXISKDELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O/c1-3-10-19(12-13-20)11-9-16(18-4-2)14-5-7-15(17)8-6-14/h5-8,16,18,20H,3-4,9-13H2,1-2H3.
What are the key properties of 2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol?
2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol has a molecular weight of 298.86 g/mol, XLogP of 3.09, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol is sourced from PubChem (CID 62645398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).