2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine

C15H17ClN2 — CID 29039749

IUPAC2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine
SMILESCCN(c1ccccc1C)c1ccc(N)cc1Cl
InChIInChI=1S/C15H17ClN2/c1-3-18(14-7-5-4-6-11(14)2)15-9-8-12(17)10-13(15)16/h4-10H,3,17H2,1-2H3
InChIKeyPTUMMPPGKIAIBJ-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.39
Rot. Bonds3

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

2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine (PubChem CID 29039749) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine
PubChem CID29039749
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine
SMILESCCN(c1ccccc1C)c1ccc(N)cc1Cl
InChIInChI=1S/C15H17ClN2/c1-3-18(14-7-5-4-6-11(14)2)15-9-8-12(17)10-13(15)16/h4-10H,3,17H2,1-2H3
InChIKeyPTUMMPPGKIAIBJ-UHFFFAOYSA-N
XLogP4.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine (CID 29039749) is 2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine is CCN(c1ccccc1C)c1ccc(N)cc1Cl.
What is the InChIKey of 2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine?
The InChIKey is PTUMMPPGKIAIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-3-18(14-7-5-4-6-11(14)2)15-9-8-12(17)10-13(15)16/h4-10H,3,17H2,1-2H3.
What are the key properties of 2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine?
2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine has a molecular weight of 260.77 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 29039749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).