(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine

C15H21BrClN — CID 115566736

IUPAC(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine
SMILESCCC1CCCCC1C(N)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H21BrClN/c1-2-10-5-3-4-6-12(10)15(18)11-7-8-14(17)13(16)9-11/h7-10,12,15H,2-6,18H2,1H3
InChIKeyQGHLRCMYMUYZEK-UHFFFAOYSA-N
MW330.70 g/mol
LogP5.32
Rot. Bonds3

About (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine

(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine (PubChem CID 115566736) has the molecular formula C15H21BrClN and a molecular weight of 330.70 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine
PubChem CID115566736
Molecular FormulaC15H21BrClN
Molecular Weight330.70 g/mol
Exact Mass329.05
IUPAC Name(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine
SMILESCCC1CCCCC1C(N)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H21BrClN/c1-2-10-5-3-4-6-12(10)15(18)11-7-8-14(17)13(16)9-11/h7-10,12,15H,2-6,18H2,1H3
InChIKeyQGHLRCMYMUYZEK-UHFFFAOYSA-N
XLogP5.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.70
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
CID 63863285
1-(3-bromo-4-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115567141
(4-bromophenyl)-(2-ethylcyclohexyl)methanamine
CID 55251169
(S)-(3-bromo-4-chlorophenyl)-cyclohexylmethanamine
CID 171222570
(S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171222569
(2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
CID 63861305
(2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine
CID 63861115
1-(4-bromo-3-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115862853
1-(3,4-dichlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 81492344
(1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine
CID 130840491
(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol
CID 171267801
(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone
CID 115565963

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine (CID 115566736) is (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine is CCC1CCCCC1C(N)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine?
The InChIKey is QGHLRCMYMUYZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN/c1-2-10-5-3-4-6-12(10)15(18)11-7-8-14(17)13(16)9-11/h7-10,12,15H,2-6,18H2,1H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine?
(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine has a molecular weight of 330.70 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine is sourced from PubChem (CID 115566736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).