2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine

C14H21ClN2 — CID 43115465

IUPAC2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine
SMILESCC1CCCC(Nc2ccc(N)cc2Cl)C1C
InChIInChI=1S/C14H21ClN2/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(16)8-12(14)15/h6-10,13,17H,3-5,16H2,1-2H3
InChIKeyMBSLLPFHMCHGKP-UHFFFAOYSA-N
MW252.79 g/mol
LogP4.16
Rot. Bonds2

About 2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine

2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine (PubChem CID 43115465) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine
PubChem CID43115465
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine
SMILESCC1CCCC(Nc2ccc(N)cc2Cl)C1C
InChIInChI=1S/C14H21ClN2/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(16)8-12(14)15/h6-10,13,17H,3-5,16H2,1-2H3
InChIKeyMBSLLPFHMCHGKP-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline
CID 64761795
5-amino-2-[(2,3-dimethylcyclohexyl)amino]benzonitrile
CID 61295781
[2-(4-amino-2-chloroanilino)cyclopentyl]methanol
CID 106359015
4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline
CID 107631533
3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline
CID 64774574
1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 43115458
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 43305214
3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64762651
3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine
CID 102755663
4-chloro-2-[(2,3-dimethylcyclohexyl)amino]benzenecarbothioamide
CID 63518518
N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline
CID 64760115
1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine
CID 54902981

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine (CID 43115465) is 2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine is CC1CCCC(Nc2ccc(N)cc2Cl)C1C.
What is the InChIKey of 2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine?
The InChIKey is MBSLLPFHMCHGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(16)8-12(14)15/h6-10,13,17H,3-5,16H2,1-2H3.
What are the key properties of 2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine?
2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine has a molecular weight of 252.79 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine is sourced from PubChem (CID 43115465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).