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

C15H23ClN2 — CID 61437395

IUPAC2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
SMILESCC1CCC(N(C)c2cccc(Cl)c2CN)CC1
InChIInChI=1S/C15H23ClN2/c1-11-6-8-12(9-7-11)18(2)15-5-3-4-14(16)13(15)10-17/h3-5,11-12H,6-10,17H2,1-2H3
InChIKeyMSIXFQXDDZNEGY-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.81
Rot. Bonds3

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

2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline (PubChem CID 61437395) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
PubChem CID61437395
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
SMILESCC1CCC(N(C)c2cccc(Cl)c2CN)CC1
InChIInChI=1S/C15H23ClN2/c1-11-6-8-12(9-7-11)18(2)15-5-3-4-14(16)13(15)10-17/h3-5,11-12H,6-10,17H2,1-2H3
InChIKeyMSIXFQXDDZNEGY-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63817071
2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline
CID 55235233
3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 43281657
N-[2-(2-aminoethyl)-3-chlorophenyl]-N-methyloxan-4-amine
CID 63782228
3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 55241864
2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline
CID 114879451
2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline
CID 28965176
3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine
CID 63076254
N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 79516525
2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 61445051
2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 55124839
2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline
CID 63552442

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline?
The IUPAC name of 2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline (CID 61437395) is 2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline?
The canonical SMILES for 2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline is CC1CCC(N(C)c2cccc(Cl)c2CN)CC1.
What is the InChIKey of 2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline?
The InChIKey is MSIXFQXDDZNEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-6-8-12(9-7-11)18(2)15-5-3-4-14(16)13(15)10-17/h3-5,11-12H,6-10,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline?
2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline has a molecular weight of 266.82 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline is sourced from PubChem (CID 61437395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).