1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine

C16H24BrN — CID 114192091

IUPAC1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine
SMILESCNC(CCC1CCCCC1)c1ccccc1Br
InChIInChI=1S/C16H24BrN/c1-18-16(14-9-5-6-10-15(14)17)12-11-13-7-3-2-4-8-13/h5-6,9-10,13,16,18H,2-4,7-8,11-12H2,1H3
InChIKeyPKSLLQDKVRSYAF-UHFFFAOYSA-N
MW310.28 g/mol
LogP5.07
Rot. Bonds5

About 1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine

1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine (PubChem CID 114192091) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine
PubChem CID114192091
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine
SMILESCNC(CCC1CCCCC1)c1ccccc1Br
InChIInChI=1S/C16H24BrN/c1-18-16(14-9-5-6-10-15(14)17)12-11-13-7-3-2-4-8-13/h5-6,9-10,13,16,18H,2-4,7-8,11-12H2,1H3
InChIKeyPKSLLQDKVRSYAF-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.28
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 63495491
1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62629250
(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81378704
1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine
CID 104691933
3-(2-bromophenyl)-3-(methylamino)propan-1-ol
CID 64815328
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 43480073
1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine
CID 106647929
1-(2-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62629267
1-(5-bromo-4-fluoro-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 103394525
1-(2-bromophenyl)-N-methylhexan-1-amine
CID 62602989
3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 43482676
[3-cyclohexyl-1-(2-methylphenyl)propyl]hydrazine
CID 105286051

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine (CID 114192091) is 1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine is CNC(CCC1CCCCC1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine?
The InChIKey is PKSLLQDKVRSYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-18-16(14-9-5-6-10-15(14)17)12-11-13-7-3-2-4-8-13/h5-6,9-10,13,16,18H,2-4,7-8,11-12H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine?
1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine is sourced from PubChem (CID 114192091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).