N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine

C17H27ClN2 — CID 79533826

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1Cl)N(C)CC1CCC(CN)CC1
InChIInChI=1S/C17H27ClN2/c1-13(16-5-3-4-6-17(16)18)20(2)12-15-9-7-14(11-19)8-10-15/h3-6,13-15H,7-12,19H2,1-2H3
InChIKeyKGGUBGLWZOUPAI-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.10
Rot. Bonds5

About N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine

N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine (PubChem CID 79533826) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
PubChem CID79533826
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1Cl)N(C)CC1CCC(CN)CC1
InChIInChI=1S/C17H27ClN2/c1-13(16-5-3-4-6-17(16)18)20(2)12-15-9-7-14(11-19)8-10-15/h3-6,13-15H,7-12,19H2,1-2H3
InChIKeyKGGUBGLWZOUPAI-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 112736627
2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol
CID 82721244
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819503
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
CID 113416108
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-ol
CID 64736474
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-4-ethylcyclohexan-1-one
CID 63484465
1-(2-chlorophenyl)-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 63727801
N-[[2-(aminomethyl)phenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62980012
6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
CID 113251904
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 65480545

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine (CID 79533826) is N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine is CC(c1ccccc1Cl)N(C)CC1CCC(CN)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine?
The InChIKey is KGGUBGLWZOUPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13(16-5-3-4-6-17(16)18)20(2)12-15-9-7-14(11-19)8-10-15/h3-6,13-15H,7-12,19H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine has a molecular weight of 294.87 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 79533826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).