4-(3-chlorophenyl)-N-propylpentan-2-amine

C14H22ClN — CID 64721439

IUPAC4-(3-chlorophenyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClN/c1-4-8-16-12(3)9-11(2)13-6-5-7-14(15)10-13/h5-7,10-12,16H,4,8-9H2,1-3H3
InChIKeyNTRGQRJVJQEUPC-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.22
Rot. Bonds6

About 4-(3-chlorophenyl)-N-propylpentan-2-amine

4-(3-chlorophenyl)-N-propylpentan-2-amine (PubChem CID 64721439) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-propylpentan-2-amine
PubChem CID64721439
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name4-(3-chlorophenyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClN/c1-4-8-16-12(3)9-11(2)13-6-5-7-14(15)10-13/h5-7,10-12,16H,4,8-9H2,1-3H3
InChIKeyNTRGQRJVJQEUPC-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3-chlorophenyl)-N-propylpentan-2-amine 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

3-(3-chlorophenyl)-N-propylbutan-1-amine
CID 81019397
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine
CID 64720996
4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine
CID 79700435
N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575629
4-(4-phenylphenyl)-N-propylpentan-2-amine
CID 65453815
1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine
CID 63483276
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
5-(3-chlorophenyl)hexane-2,3-diol
CID 83924628
1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115811575
3-(3-chlorophenyl)-N-propylheptan-4-amine
CID 83051541
1-(3-chlorophenyl)-N-propylheptan-1-amine
CID 63412076

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-propylpentan-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-N-propylpentan-2-amine (CID 64721439) is 4-(3-chlorophenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-N-propylpentan-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-N-propylpentan-2-amine is CCCNC(C)CC(C)c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-N-propylpentan-2-amine?
The InChIKey is NTRGQRJVJQEUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-4-8-16-12(3)9-11(2)13-6-5-7-14(15)10-13/h5-7,10-12,16H,4,8-9H2,1-3H3.
What are the key properties of 4-(3-chlorophenyl)-N-propylpentan-2-amine?
4-(3-chlorophenyl)-N-propylpentan-2-amine has a molecular weight of 239.79 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 64721439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).