2-chloro-4-N-cyclopropyl-5-methyl-4-N-propylbenzene-1,4-diamine

C13H19ClN2 — CID 115554545

IUPAC2-chloro-4-N-cyclopropyl-5-methyl-4-N-propylbenzene-1,4-diamine
SMILESCCCN(c1cc(Cl)c(N)cc1C)C1CC1
InChIInChI=1S/C13H19ClN2/c1-3-6-16(10-4-5-10)13-8-11(14)12(15)7-9(13)2/h7-8,10H,3-6,15H2,1-2H3
InChIKeyWMARAHRKPNYDCF-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.61
Rot. Bonds4

About 2-chloro-4-N-cyclopropyl-5-methyl-4-N-propylbenzene-1,4-diamine

2-chloro-4-N-cyclopropyl-5-methyl-4-N-propylbenzene-1,4-diamine (PubChem CID 115554545) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-chloro-4-N-cyclopropyl-5-methyl-4-N-propylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-cyclopropyl-5-methyl-4-N-propylbenzene-1,4-diamine
PubChem CID115554545
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-chloro-4-N-cyclopropyl-5-methyl-4-N-propylbenzene-1,4-diamine
SMILESCCCN(c1cc(Cl)c(N)cc1C)C1CC1
InChIInChI=1S/C13H19ClN2/c1-3-6-16(10-4-5-10)13-8-11(14)12(15)7-9(13)2/h7-8,10H,3-6,15H2,1-2H3
InChIKeyWMARAHRKPNYDCF-UHFFFAOYSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-N-cyclopropyl-5-methyl-4-N-propylbenzene-1,4-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-chloro-5-methyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 115554375
2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol
CID 115554676
2-chloro-4-N-[2-(dimethylamino)ethyl]-5-methyl-4-N-propylbenzene-1,4-diamine
CID 113334302
2-chloro-4-N,4-N-bis(cyclopropylmethyl)-5-methylbenzene-1,4-diamine
CID 115554998
4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline
CID 78935924
3,5-dichloro-6-N-cyclopropyl-6-N-propylpyridine-2,6-diamine
CID 102755856
1-N-butyl-1-N-cyclopropyl-2-methylbenzene-1,4-diamine
CID 61440854
2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline
CID 114860559
3-chloro-4-[cyclopropyl(propyl)amino]benzoic acid
CID 55179695
4-amino-3-[cyclopropyl(propyl)amino]benzamide
CID 55188930
2-N-(4-ethylcyclohexyl)-2-N-propylbenzene-1,2-diamine
CID 64748723
2-chloro-6-[cyclopropyl(propyl)amino]benzenecarbothioamide
CID 62502761

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-cyclopropyl-5-methyl-4-N-propylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-cyclopropyl-5-methyl-4-N-propylbenzene-1,4-diamine (CID 115554545) is 2-chloro-4-N-cyclopropyl-5-methyl-4-N-propylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-cyclopropyl-5-methyl-4-N-propylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-cyclopropyl-5-methyl-4-N-propylbenzene-1,4-diamine is CCCN(c1cc(Cl)c(N)cc1C)C1CC1.
What is the InChIKey of 2-chloro-4-N-cyclopropyl-5-methyl-4-N-propylbenzene-1,4-diamine?
The InChIKey is WMARAHRKPNYDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-3-6-16(10-4-5-10)13-8-11(14)12(15)7-9(13)2/h7-8,10H,3-6,15H2,1-2H3.
What are the key properties of 2-chloro-4-N-cyclopropyl-5-methyl-4-N-propylbenzene-1,4-diamine?
2-chloro-4-N-cyclopropyl-5-methyl-4-N-propylbenzene-1,4-diamine has a molecular weight of 238.76 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-cyclopropyl-5-methyl-4-N-propylbenzene-1,4-diamine is sourced from PubChem (CID 115554545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).