2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine

C14H21ClN2 — CID 113334150

IUPAC2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine
SMILESCc1cc(N)c(Cl)cc1NC1CCC(C)CC1
InChIInChI=1S/C14H21ClN2/c1-9-3-5-11(6-4-9)17-14-8-12(15)13(16)7-10(14)2/h7-9,11,17H,3-6,16H2,1-2H3
InChIKeyBHYNZKOMWCSDIH-UHFFFAOYSA-N
MW252.79 g/mol
LogP4.22
Rot. Bonds2

About 2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine

2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine (PubChem CID 113334150) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine
PubChem CID113334150
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine
SMILESCc1cc(N)c(Cl)cc1NC1CCC(C)CC1
InChIInChI=1S/C14H21ClN2/c1-9-3-5-11(6-4-9)17-14-8-12(15)13(16)7-10(14)2/h7-9,11,17H,3-6,16H2,1-2H3
InChIKeyBHYNZKOMWCSDIH-UHFFFAOYSA-N
XLogP4.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 54.22
H-Bond Donors ≤ 52
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-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine (CID 113334150) is 2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine is Cc1cc(N)c(Cl)cc1NC1CCC(C)CC1.
What is the InChIKey of 2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine?
The InChIKey is BHYNZKOMWCSDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-9-3-5-11(6-4-9)17-14-8-12(15)13(16)7-10(14)2/h7-9,11,17H,3-6,16H2,1-2H3.
What are the key properties of 2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine?
2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine has a molecular weight of 252.79 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine is sourced from PubChem (CID 113334150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).