1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine

C17H26BrN — CID 115862601

IUPAC1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCCCC1C(NC)c1ccc(C)cc1Br
InChIInChI=1S/C17H26BrN/c1-4-13-7-5-6-8-14(13)17(19-3)15-10-9-12(2)11-16(15)18/h9-11,13-14,17,19H,4-8H2,1-3H3
InChIKeyZDWLKZQMWZOASS-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.23
Rot. Bonds4

About 1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine

1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine (PubChem CID 115862601) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
PubChem CID115862601
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCCCC1C(NC)c1ccc(C)cc1Br
InChIInChI=1S/C17H26BrN/c1-4-13-7-5-6-8-14(13)17(19-3)15-10-9-12(2)11-16(15)18/h9-11,13-14,17,19H,4-8H2,1-3H3
InChIKeyZDWLKZQMWZOASS-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dimethylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115862504
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine
CID 105027710
1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 105151150
1-(3-bromo-4-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115567141
1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115862853
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027676
N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 106857704
1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 63862559
1-(2,6-dimethyl-4-pyridinyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 107503579
1-(2-ethoxyphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115533850
1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine
CID 114979523
1-(3,4-dichlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 81492344

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine (CID 115862601) is 1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine is CCC1CCCCC1C(NC)c1ccc(C)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine?
The InChIKey is ZDWLKZQMWZOASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-4-13-7-5-6-8-14(13)17(19-3)15-10-9-12(2)11-16(15)18/h9-11,13-14,17,19H,4-8H2,1-3H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine?
1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine has a molecular weight of 324.31 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 115862601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).