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

C14H15ClN2 — CID 115468565

IUPAC4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine
SMILESCCc1ccccc1Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H15ClN2/c1-2-10-5-3-4-6-13(10)17-14-9-11(15)7-8-12(14)16/h3-9,17H,2,16H2,1H3
InChIKeyQMCAJCSQGAPRGV-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.23
Rot. Bonds3

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

4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine (PubChem CID 115468565) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine
PubChem CID115468565
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine
SMILESCCc1ccccc1Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H15ClN2/c1-2-10-5-3-4-6-13(10)17-14-9-11(15)7-8-12(14)16/h3-9,17H,2,16H2,1H3
InChIKeyQMCAJCSQGAPRGV-UHFFFAOYSA-N
XLogP4.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.23
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-propylphenyl)benzene-1,2-diamine
CID 115468772
4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine
CID 115469018
2-(2-amino-5-chloroanilino)benzoic acid
CID 59783721
2-N-(2-ethylphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001518
4-chloro-2-N-(2,3-dimethylphenyl)benzene-1,2-diamine
CID 113315599
2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide
CID 28524364
2-(2-amino-5-chloroanilino)benzonitrile
CID 113315594
5-chloro-1-N-(2-ethylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552610
N-(2-amino-5-chlorophenyl)ethanesulfonamide
CID 16775889
1-N-(2-ethylphenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593992
1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine
CID 114041167

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine (CID 115468565) is 4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine is CCc1ccccc1Nc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine?
The InChIKey is QMCAJCSQGAPRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-2-10-5-3-4-6-13(10)17-14-9-11(15)7-8-12(14)16/h3-9,17H,2,16H2,1H3.
What are the key properties of 4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine?
4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine has a molecular weight of 246.74 g/mol, XLogP of 4.23, 3 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-ethylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 115468565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).