1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol

C17H26ClNO — CID 78991345

IUPAC1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol
SMILESCC(C)CCN(CCC(O)c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C17H26ClNO/c1-13(2)8-10-19(16-6-7-16)11-9-17(20)14-4-3-5-15(18)12-14/h3-5,12-13,16-17,20H,6-11H2,1-2H3
InChIKeyLEACENHZSNWXJH-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.27
Rot. Bonds8

About 1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol

1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol (PubChem CID 78991345) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol
PubChem CID78991345
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol
SMILESCC(C)CCN(CCC(O)c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C17H26ClNO/c1-13(2)8-10-19(16-6-7-16)11-9-17(20)14-4-3-5-15(18)12-14/h3-5,12-13,16-17,20H,6-11H2,1-2H3
InChIKeyLEACENHZSNWXJH-UHFFFAOYSA-N
XLogP4.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol 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-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol
CID 78976695
1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol
CID 63655492
2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
CID 55098754
1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495538
methyl 3-[[2-(3-chlorophenyl)-2-hydroxyethyl]-cyclopropylamino]-2-methylpropanoate
CID 111487699
1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 63713720
1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 55098610
1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine
CID 62628710
1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol
CID 55098657
1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
CID 62619701
1-(3-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82743304
1-(4-chlorophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
CID 62629823

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol (CID 78991345) is 1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol is CC(C)CCN(CCC(O)c1cccc(Cl)c1)C1CC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol?
The InChIKey is LEACENHZSNWXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-13(2)8-10-19(16-6-7-16)11-9-17(20)14-4-3-5-15(18)12-14/h3-5,12-13,16-17,20H,6-11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol?
1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol has a molecular weight of 295.85 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol is sourced from PubChem (CID 78991345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).