1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine

C17H27ClN2O — CID 106872470

IUPAC1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine
SMILESCOC1CCCCC1(CN)N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C17H27ClN2O/c1-13(14-8-4-5-9-15(14)18)20(2)17(12-19)11-7-6-10-16(17)21-3/h4-5,8-9,13,16H,6-7,10-12,19H2,1-3H3
InChIKeyAPAUGJKINIWQCB-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.62
Rot. Bonds5

About 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine

1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine (PubChem CID 106872470) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine
PubChem CID106872470
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine
SMILESCOC1CCCCC1(CN)N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C17H27ClN2O/c1-13(14-8-4-5-9-15(14)18)20(2)17(12-19)11-7-6-10-16(17)21-3/h4-5,8-9,13,16H,6-7,10-12,19H2,1-3H3
InChIKeyAPAUGJKINIWQCB-UHFFFAOYSA-N
XLogP3.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872183
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine
CID 82718464
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylcycloheptan-1-amine
CID 65085040
1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872758
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine
CID 62980197
1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine
CID 106872350
1-(aminomethyl)-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexan-1-amine
CID 106872195
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 79533826
1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 106872505
1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine
CID 106872326
1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine
CID 43180386
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 65480545

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine (CID 106872470) is 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine is COC1CCCCC1(CN)N(C)C(C)c1ccccc1Cl.
What is the InChIKey of 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine?
The InChIKey is APAUGJKINIWQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-13(14-8-4-5-9-15(14)18)20(2)17(12-19)11-7-6-10-16(17)21-3/h4-5,8-9,13,16H,6-7,10-12,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine?
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine has a molecular weight of 310.87 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-2-methoxy-N-methylcyclohexan-1-amine is sourced from PubChem (CID 106872470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).