4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine

C15H17ClN2 — CID 71038618

IUPAC4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine
SMILESCCNc1ccc(Nc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C15H17ClN2/c1-3-17-12-4-6-13(7-5-12)18-14-8-9-15(16)11(2)10-14/h4-10,17-18H,3H2,1-2H3
InChIKeyZSEUCMUVSRTPMH-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.82
Rot. Bonds4

About 4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine

4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine (PubChem CID 71038618) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine
PubChem CID71038618
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine
SMILESCCNc1ccc(Nc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C15H17ClN2/c1-3-17-12-4-6-13(7-5-12)18-14-8-9-15(16)11(2)10-14/h4-10,17-18H,3H2,1-2H3
InChIKeyZSEUCMUVSRTPMH-UHFFFAOYSA-N
XLogP4.82
TPSA24.06 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 ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Related Compounds

5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532261
N-[2-(4-chloro-3-methylanilino)ethyl]thiohydroxylamine
CID 137474063
4-N-(2-chloro-4-fluorophenyl)-1-N-ethyl-2-methylbenzene-1,4-diamine
CID 156868277
1-N,4-N-diethyl-2-methylbenzene-1,4-diamine
CID 18957572
3-bromo-4-chloro-N-ethylaniline;hydrochloride
CID 68626677
4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80767819
3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754928
4-bromo-N-ethyl-3-methylaniline;hydrochloride
CID 75530858
2-chloro-4-N-ethylbenzene-1,4-diamine
CID 68788899
(2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 58619258
2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589382
3-methyl-N-phenyl-4-propylaniline
CID 24977147

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine (CID 71038618) is 4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine is CCNc1ccc(Nc2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of 4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine?
The InChIKey is ZSEUCMUVSRTPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-3-17-12-4-6-13(7-5-12)18-14-8-9-15(16)11(2)10-14/h4-10,17-18H,3H2,1-2H3.
What are the key properties of 4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine?
4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine has a molecular weight of 260.77 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine is sourced from PubChem (CID 71038618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).