2-(aminomethyl)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-methylcyclohexan-1-amine

C16H24BrClN2 — CID 82774439

IUPAC2-(aminomethyl)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-methylcyclohexan-1-amine
SMILESCC(c1ccc(Br)cc1Cl)N(C)C1CCCCC1CN
InChIInChI=1S/C16H24BrClN2/c1-11(14-8-7-13(17)9-15(14)18)20(2)16-6-4-3-5-12(16)10-19/h7-9,11-12,16H,3-6,10,19H2,1-2H3
InChIKeyVPUFYIDSVSQLNL-UHFFFAOYSA-N
MW359.74 g/mol
LogP4.61
Rot. Bonds4

About 2-(aminomethyl)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-methylcyclohexan-1-amine

2-(aminomethyl)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-methylcyclohexan-1-amine (PubChem CID 82774439) has the molecular formula C16H24BrClN2 and a molecular weight of 359.74 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-methylcyclohexan-1-amine
PubChem CID82774439
Molecular FormulaC16H24BrClN2
Molecular Weight359.74 g/mol
Exact Mass358.08
IUPAC Name2-(aminomethyl)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-methylcyclohexan-1-amine
SMILESCC(c1ccc(Br)cc1Cl)N(C)C1CCCCC1CN
InChIInChI=1S/C16H24BrClN2/c1-11(14-8-7-13(17)9-15(14)18)20(2)16-6-4-3-5-12(16)10-19/h7-9,11-12,16H,3-6,10,19H2,1-2H3
InChIKeyVPUFYIDSVSQLNL-UHFFFAOYSA-N
XLogP4.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide
CID 81295179
1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 82777715
2-(aminomethyl)-N-methyl-N-propan-2-ylcyclopentan-1-amine
CID 43293401
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 82880142
1-(4-bromo-2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-methylpropane-1,3-diamine
CID 82779425
N-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide
CID 107963621
N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide
CID 81294148
N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride
CID 119612232
2-[[2-(aminomethyl)cyclohexyl]-ethylamino]-5-bromobenzonitrile
CID 114894077
2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494603

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-methylcyclohexan-1-amine (CID 82774439) is 2-(aminomethyl)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-methylcyclohexan-1-amine is CC(c1ccc(Br)cc1Cl)N(C)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-methylcyclohexan-1-amine?
The InChIKey is VPUFYIDSVSQLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2/c1-11(14-8-7-13(17)9-15(14)18)20(2)16-6-4-3-5-12(16)10-19/h7-9,11-12,16H,3-6,10,19H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-methylcyclohexan-1-amine?
2-(aminomethyl)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-methylcyclohexan-1-amine has a molecular weight of 359.74 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 82774439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).