1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine

C15H21BrClN — CID 82773811

IUPAC1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
SMILESCC(NCC1CCCCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H21BrClN/c1-11(14-8-7-13(16)9-15(14)17)18-10-12-5-3-2-4-6-12/h7-9,11-12,18H,2-6,10H2,1H3
InChIKeyPOFPCEFERAPFKG-UHFFFAOYSA-N
MW330.70 g/mol
LogP5.33
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine

1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine (PubChem CID 82773811) has the molecular formula C15H21BrClN and a molecular weight of 330.70 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
PubChem CID82773811
Molecular FormulaC15H21BrClN
Molecular Weight330.70 g/mol
Exact Mass329.05
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
SMILESCC(NCC1CCCCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H21BrClN/c1-11(14-8-7-13(16)9-15(14)17)18-10-12-5-3-2-4-6-12/h7-9,11-12,18H,2-6,10H2,1H3
InChIKeyPOFPCEFERAPFKG-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.70
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781569
1-(4-bromo-2-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 82773424
N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781645
1-(5-bromo-2-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82962734
(1R)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377732
(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377152
(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 82773268
4-bromo-2-[1-(cyclobutylmethylamino)ethyl]phenol
CID 104581979
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine
CID 82774515
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine
CID 115841909
(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81377860

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine (CID 82773811) is 1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine is CC(NCC1CCCCC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine?
The InChIKey is POFPCEFERAPFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN/c1-11(14-8-7-13(16)9-15(14)17)18-10-12-5-3-2-4-6-12/h7-9,11-12,18H,2-6,10H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine?
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine has a molecular weight of 330.70 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine is sourced from PubChem (CID 82773811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).