3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine

C15H23ClN2 — CID 63402926

IUPAC3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine
SMILESCCC1CCC(N(C)c2c(N)cccc2Cl)CC1
InChIInChI=1S/C15H23ClN2/c1-3-11-7-9-12(10-8-11)18(2)15-13(16)5-4-6-14(15)17/h4-6,11-12H,3,7-10,17H2,1-2H3
InChIKeyHQKMXIWLLAGGKP-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.33
Rot. Bonds3

About 3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine

3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine (PubChem CID 63402926) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine
PubChem CID63402926
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine
SMILESCCC1CCC(N(C)c2c(N)cccc2Cl)CC1
InChIInChI=1S/C15H23ClN2/c1-3-11-7-9-12(10-8-11)18(2)15-13(16)5-4-6-14(15)17/h4-6,11-12H,3,7-10,17H2,1-2H3
InChIKeyHQKMXIWLLAGGKP-UHFFFAOYSA-N
XLogP4.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-cyclopropyl-N-methylaniline
CID 54252168
2-chloro-6-[(4-ethylcyclohexyl)-methylamino]benzenecarbothioamide
CID 62496502
2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine
CID 61440812
1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine
CID 63470631
3-chloro-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]benzene-1,2-diamine
CID 115126953
2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide
CID 107110122
4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 55222350
5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine
CID 61451033
2-chloro-4-[(4-ethylcyclohexyl)-methylamino]benzaldehyde
CID 114064082
N-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114067765
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanamine
CID 65393105
2-(2-amino-6-chloro-N-cyclobutylanilino)ethanol
CID 102859508

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine (CID 63402926) is 3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine is CCC1CCC(N(C)c2c(N)cccc2Cl)CC1.
What is the InChIKey of 3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine?
The InChIKey is HQKMXIWLLAGGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-11-7-9-12(10-8-11)18(2)15-13(16)5-4-6-14(15)17/h4-6,11-12H,3,7-10,17H2,1-2H3.
What are the key properties of 3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine?
3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine has a molecular weight of 266.82 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 63402926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).