4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine

C17H27BrN2 — CID 115213756

IUPAC4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(CN(C)CCc2ccccc2Br)CC1
InChIInChI=1S/C17H27BrN2/c1-19-16-9-7-14(8-10-16)13-20(2)12-11-15-5-3-4-6-17(15)18/h3-6,14,16,19H,7-13H2,1-2H3
InChIKeyJBVACAGRNITPCT-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.70
Rot. Bonds6

About 4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine

4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine (PubChem CID 115213756) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine
PubChem CID115213756
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(CN(C)CCc2ccccc2Br)CC1
InChIInChI=1S/C17H27BrN2/c1-19-16-9-7-14(8-10-16)13-20(2)12-11-15-5-3-4-6-17(15)18/h3-6,14,16,19H,7-13H2,1-2H3
InChIKeyJBVACAGRNITPCT-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115207157
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
N-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine
CID 115213747
N-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine
CID 115213752
2-[2-(aminomethyl)phenyl]-N-(cyclopentylmethyl)-N-methylethanamine
CID 81322135
N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115206136
1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one
CID 115235229
N'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine
CID 62437312
N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252622
N-(cyclopropylmethyl)-N-methyl-3-phenylpropan-1-amine
CID 54365066
N-[3-(2-bromophenyl)propyl]cyclopropanamine
CID 62528627
4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 115213754

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine (CID 115213756) is 4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine is CNC1CCC(CN(C)CCc2ccccc2Br)CC1.
What is the InChIKey of 4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine?
The InChIKey is JBVACAGRNITPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-19-16-9-7-14(8-10-16)13-20(2)12-11-15-5-3-4-6-17(15)18/h3-6,14,16,19H,7-13H2,1-2H3.
What are the key properties of 4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine?
4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine has a molecular weight of 339.32 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 115213756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).