2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine

C19H30BrN — CID 115787204

IUPAC2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine
SMILESCCCCC1CCC(C(Cc2ccccc2Br)NC)CC1
InChIInChI=1S/C19H30BrN/c1-3-4-7-15-10-12-16(13-11-15)19(21-2)14-17-8-5-6-9-18(17)20/h5-6,8-9,15-16,19,21H,3-4,7,10-14H2,1-2H3
InChIKeyOJZHJJIQKPLTKQ-UHFFFAOYSA-N
MW352.36 g/mol
LogP5.58
Rot. Bonds7

About 2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine

2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine (PubChem CID 115787204) has the molecular formula C19H30BrN and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine
PubChem CID115787204
Molecular FormulaC19H30BrN
Molecular Weight352.36 g/mol
Exact Mass351.16
IUPAC Name2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine
SMILESCCCCC1CCC(C(Cc2ccccc2Br)NC)CC1
InChIInChI=1S/C19H30BrN/c1-3-4-7-15-10-12-16(13-11-15)19(21-2)14-17-8-5-6-9-18(17)20/h5-6,8-9,15-16,19,21H,3-4,7,10-14H2,1-2H3
InChIKeyOJZHJJIQKPLTKQ-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.36
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-bromophenyl)-1-(4-butylcyclohexyl)ethyl]hydrazine
CID 105283853
2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425315
2-(5-ethylthiophen-2-yl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425118
2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424348
[2-(2-bromophenyl)-1-cyclohexylethyl]hydrazine
CID 105201966
N-methyl-1-(4-propylcyclohexyl)butan-1-amine
CID 65423384
1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 115834392
1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine
CID 63528058
N-ethyl-2-(2-methylphenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65425325
1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859834
1-(4-butylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065022
1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 55196072

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine (CID 115787204) is 2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine is CCCCC1CCC(C(Cc2ccccc2Br)NC)CC1.
What is the InChIKey of 2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine?
The InChIKey is OJZHJJIQKPLTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BrN/c1-3-4-7-15-10-12-16(13-11-15)19(21-2)14-17-8-5-6-9-18(17)20/h5-6,8-9,15-16,19,21H,3-4,7,10-14H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine?
2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine has a molecular weight of 352.36 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 115787204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).