2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine

C13H21ClN2 — CID 65377307

IUPAC2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine
SMILESCCC(CC)C(CN)Nc1ccccc1Cl
InChIInChI=1S/C13H21ClN2/c1-3-10(4-2)13(9-15)16-12-8-6-5-7-11(12)14/h5-8,10,13,16H,3-4,9,15H2,1-2H3
InChIKeyHAKRHLPKCUZRCW-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.52
Rot. Bonds6

About 2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine

2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine (PubChem CID 65377307) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine
PubChem CID65377307
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine
SMILESCCC(CC)C(CN)Nc1ccccc1Cl
InChIInChI=1S/C13H21ClN2/c1-3-10(4-2)13(9-15)16-12-8-6-5-7-11(12)14/h5-8,10,13,16H,3-4,9,15H2,1-2H3
InChIKeyHAKRHLPKCUZRCW-UHFFFAOYSA-N
XLogP3.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine 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-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine
CID 65379401
2-N-(2-chlorophenyl)butane-1,2-diamine
CID 65377716
2-N-(2-chlorophenyl)-4-methoxy-3-methylbutane-1,2-diamine
CID 116501809
2-(2-chloroanilino)-3-ethylpentanenitrile
CID 61318905
N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
2-chloro-N-hexan-3-ylaniline
CID 91251146
2-chloro-N-(1-phenylpropyl)aniline
CID 43105652
N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65377098
2-chloro-N-heptan-4-ylaniline
CID 29274819
2-chloro-N-(5-methylheptan-3-yl)aniline
CID 43095365
1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65379394
3-chloro-1-N-(3-ethylpentan-2-yl)benzene-1,2-diamine
CID 104834569

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine?
The IUPAC name of 2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine (CID 65377307) is 2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine is CCC(CC)C(CN)Nc1ccccc1Cl.
What is the InChIKey of 2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine?
The InChIKey is HAKRHLPKCUZRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-3-10(4-2)13(9-15)16-12-8-6-5-7-11(12)14/h5-8,10,13,16H,3-4,9,15H2,1-2H3.
What are the key properties of 2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine?
2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine has a molecular weight of 240.78 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-3-ethylpentane-1,2-diamine is sourced from PubChem (CID 65377307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).