1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine

C16H23BrClN — CID 115862853

IUPAC1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCCCC1C(NC)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H23BrClN/c1-3-11-6-4-5-7-13(11)16(19-2)12-8-9-14(17)15(18)10-12/h8-11,13,16,19H,3-7H2,1-2H3
InChIKeyIBPIAMQHUGIBNO-UHFFFAOYSA-N
MW344.72 g/mol
LogP5.58
Rot. Bonds4

About 1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine

1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine (PubChem CID 115862853) has the molecular formula C16H23BrClN and a molecular weight of 344.72 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
PubChem CID115862853
Molecular FormulaC16H23BrClN
Molecular Weight344.72 g/mol
Exact Mass343.07
IUPAC Name1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCCCC1C(NC)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H23BrClN/c1-3-11-6-4-5-7-13(11)16(19-2)12-8-9-14(17)15(18)10-12/h8-11,13,16,19H,3-7H2,1-2H3
InChIKeyIBPIAMQHUGIBNO-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.72
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115567141
1-(3,4-dichlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 81492344
1-(2,6-dimethyl-4-pyridinyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 107503579
1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115862601
N-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 115862665
1-(2,4-dimethylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115862504
(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine
CID 115566736
[(2-bromo-5-chlorophenyl)-(2-ethylcyclohexyl)methyl]hydrazine
CID 114027357
1-(3-bromo-4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 113337112
1-(3-bromo-4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine
CID 115567170
(1S)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130663868
(1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130690836

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine (CID 115862853) is 1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine is CCC1CCCCC1C(NC)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine?
The InChIKey is IBPIAMQHUGIBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClN/c1-3-11-6-4-5-7-13(11)16(19-2)12-8-9-14(17)15(18)10-12/h8-11,13,16,19H,3-7H2,1-2H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine?
1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine has a molecular weight of 344.72 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 115862853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).