5-chloro-1-N-cyclohexyl-2,3-dimethylbenzene-1,4-diamine

C14H21ClN2 — CID 91672006

IUPAC5-chloro-1-N-cyclohexyl-2,3-dimethylbenzene-1,4-diamine
SMILESCc1c(NC2CCCCC2)cc(Cl)c(N)c1C
InChIInChI=1S/C14H21ClN2/c1-9-10(2)14(16)12(15)8-13(9)17-11-6-4-3-5-7-11/h8,11,17H,3-7,16H2,1-2H3
InChIKeyCBYOPHSFFLFWDS-UHFFFAOYSA-N
MW252.79 g/mol
LogP4.28
Rot. Bonds2

About 5-chloro-1-N-cyclohexyl-2,3-dimethylbenzene-1,4-diamine

5-chloro-1-N-cyclohexyl-2,3-dimethylbenzene-1,4-diamine (PubChem CID 91672006) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 5-chloro-1-N-cyclohexyl-2,3-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name5-chloro-1-N-cyclohexyl-2,3-dimethylbenzene-1,4-diamine
PubChem CID91672006
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name5-chloro-1-N-cyclohexyl-2,3-dimethylbenzene-1,4-diamine
SMILESCc1c(NC2CCCCC2)cc(Cl)c(N)c1C
InChIInChI=1S/C14H21ClN2/c1-9-10(2)14(16)12(15)8-13(9)17-11-6-4-3-5-7-11/h8,11,17H,3-7,16H2,1-2H3
InChIKeyCBYOPHSFFLFWDS-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
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 5-chloro-1-N-cyclohexyl-2,3-dimethylbenzene-1,4-diamine?
The IUPAC name of 5-chloro-1-N-cyclohexyl-2,3-dimethylbenzene-1,4-diamine (CID 91672006) is 5-chloro-1-N-cyclohexyl-2,3-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 5-chloro-1-N-cyclohexyl-2,3-dimethylbenzene-1,4-diamine?
The canonical SMILES for 5-chloro-1-N-cyclohexyl-2,3-dimethylbenzene-1,4-diamine is Cc1c(NC2CCCCC2)cc(Cl)c(N)c1C.
What is the InChIKey of 5-chloro-1-N-cyclohexyl-2,3-dimethylbenzene-1,4-diamine?
The InChIKey is CBYOPHSFFLFWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-9-10(2)14(16)12(15)8-13(9)17-11-6-4-3-5-7-11/h8,11,17H,3-7,16H2,1-2H3.
What are the key properties of 5-chloro-1-N-cyclohexyl-2,3-dimethylbenzene-1,4-diamine?
5-chloro-1-N-cyclohexyl-2,3-dimethylbenzene-1,4-diamine has a molecular weight of 252.79 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N-cyclohexyl-2,3-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 91672006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).