4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline

C16H25ClN2 — CID 114849226

IUPAC4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline
SMILESCNCc1cc(Cl)ccc1N(C)C1CCCC(C)C1
InChIInChI=1S/C16H25ClN2/c1-12-5-4-6-15(9-12)19(3)16-8-7-14(17)10-13(16)11-18-2/h7-8,10,12,15,18H,4-6,9,11H2,1-3H3
InChIKeyICXAYJFZSIDSJE-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.07
Rot. Bonds4

About 4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline

4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline (PubChem CID 114849226) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline
PubChem CID114849226
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline
SMILESCNCc1cc(Cl)ccc1N(C)C1CCCC(C)C1
InChIInChI=1S/C16H25ClN2/c1-12-5-4-6-15(9-12)19(3)16-8-7-14(17)10-13(16)11-18-2/h7-8,10,12,15,18H,4-6,9,11H2,1-3H3
InChIKeyICXAYJFZSIDSJE-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 114846499
[5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 114845376
N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114850104
5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114849223
5-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-2-amine
CID 114925859
N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine
CID 81246363
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 81147848
4-chloro-N-cyclohexyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847451
5-chloro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarbothioamide
CID 63520647
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 107454523
[3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 81151401
2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline
CID 63539775

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline (CID 114849226) is 4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline is CNCc1cc(Cl)ccc1N(C)C1CCCC(C)C1.
What is the InChIKey of 4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline?
The InChIKey is ICXAYJFZSIDSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-12-5-4-6-15(9-12)19(3)16-8-7-14(17)10-13(16)11-18-2/h7-8,10,12,15,18H,4-6,9,11H2,1-3H3.
What are the key properties of 4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline?
4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline has a molecular weight of 280.84 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 114849226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).