3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine

C13H19ClN2 — CID 104833893

IUPAC3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine
SMILESCN(c1cccc(Cl)c1N)C1CCCCC1
InChIInChI=1S/C13H19ClN2/c1-16(10-6-3-2-4-7-10)12-9-5-8-11(14)13(12)15/h5,8-10H,2-4,6-7,15H2,1H3
InChIKeyPPGRAUYVJWHYIY-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.69
Rot. Bonds2

About 3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine

3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine (PubChem CID 104833893) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine
PubChem CID104833893
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine
SMILESCN(c1cccc(Cl)c1N)C1CCCCC1
InChIInChI=1S/C13H19ClN2/c1-16(10-6-3-2-4-7-10)12-9-5-8-11(14)13(12)15/h5,8-10H,2-4,6-7,15H2,1H3
InChIKeyPPGRAUYVJWHYIY-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.69
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 3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine (CID 104833893) is 3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine is CN(c1cccc(Cl)c1N)C1CCCCC1.
What is the InChIKey of 3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine?
The InChIKey is PPGRAUYVJWHYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-16(10-6-3-2-4-7-10)12-9-5-8-11(14)13(12)15/h5,8-10H,2-4,6-7,15H2,1H3.
What are the key properties of 3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine?
3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine has a molecular weight of 238.76 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 104833893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).