4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine

C15H17ClN2 — CID 115468772

IUPAC4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine
SMILESCCCc1ccccc1Nc1cc(Cl)ccc1N
InChIInChI=1S/C15H17ClN2/c1-2-5-11-6-3-4-7-14(11)18-15-10-12(16)8-9-13(15)17/h3-4,6-10,18H,2,5,17H2,1H3
InChIKeyPMDBCVXJZKUBNT-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.62
Rot. Bonds4

About 4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine

4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine (PubChem CID 115468772) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine
PubChem CID115468772
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine
SMILESCCCc1ccccc1Nc1cc(Cl)ccc1N
InChIInChI=1S/C15H17ClN2/c1-2-5-11-6-3-4-7-14(11)18-15-10-12(16)8-9-13(15)17/h3-4,6-10,18H,2,5,17H2,1H3
InChIKeyPMDBCVXJZKUBNT-UHFFFAOYSA-N
XLogP4.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine
CID 115468565
4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine
CID 83004444
4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
4-chloro-2-propylaniline
CID 23348961
2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine
CID 115469018
6-chloro-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine
CID 80807407
4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine
CID 62507468
4-chloro-2-N-(2,3-dimethylphenyl)benzene-1,2-diamine
CID 113315599
2-(2-amino-5-chloroanilino)benzonitrile
CID 113315594
2-(2-amino-5-chloroanilino)benzoic acid
CID 59783721
4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine
CID 114995960
2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine
CID 63734623

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine (CID 115468772) is 4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine is CCCc1ccccc1Nc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine?
The InChIKey is PMDBCVXJZKUBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-2-5-11-6-3-4-7-14(11)18-15-10-12(16)8-9-13(15)17/h3-4,6-10,18H,2,5,17H2,1H3.
What are the key properties of 4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine?
4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine has a molecular weight of 260.77 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 115468772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).