3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine

C16H25ClN2 — CID 64762651

IUPAC3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCC1CCCC(Nc2cccc(Cl)c2N(C)C)C1C
InChIInChI=1S/C16H25ClN2/c1-11-7-5-9-14(12(11)2)18-15-10-6-8-13(17)16(15)19(3)4/h6,8,10-12,14,18H,5,7,9H2,1-4H3
InChIKeyIBACNKYTOICQOA-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.64
Rot. Bonds3

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

3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 64762651) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID64762651
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCC1CCCC(Nc2cccc(Cl)c2N(C)C)C1C
InChIInChI=1S/C16H25ClN2/c1-11-7-5-9-14(12(11)2)18-15-10-6-8-13(17)16(15)19(3)4/h6,8,10-12,14,18H,5,7,9H2,1-4H3
InChIKeyIBACNKYTOICQOA-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline
CID 64774574
3-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 64761023
2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine
CID 43115465
3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64750815
4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline
CID 64761795
3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 43739695
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11935793
3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106871888
N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline
CID 63536597
[2-[(2,3-dimethylcyclohexyl)amino]phenyl]methanol
CID 64762855
1-(3-chloro-2-methylphenyl)-3-[(1R,2S,3S)-2,3-dimethylcyclohexyl]thiourea
CID 11920775
3-N-(2,3-dimethylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 64761401

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 64762651) is 3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine is CC1CCCC(Nc2cccc(Cl)c2N(C)C)C1C.
What is the InChIKey of 3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is IBACNKYTOICQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-11-7-5-9-14(12(11)2)18-15-10-6-8-13(17)16(15)19(3)4/h6,8,10-12,14,18H,5,7,9H2,1-4H3.
What are the key properties of 3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 280.84 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 64762651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).