(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine

C16H23BrClN — CID 82773268

IUPAC(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine
SMILESCC(N[C@H](C)C1CCCCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H23BrClN/c1-11(13-6-4-3-5-7-13)19-12(2)15-9-8-14(17)10-16(15)18/h8-13,19H,3-7H2,1-2H3/t11-,12?/m1/s1
InChIKeyAPNVHMBJRMXTTJ-JHJMLUEUSA-N
MW344.72 g/mol
LogP5.72
Rot. Bonds4

About (1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine

(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine (PubChem CID 82773268) has the molecular formula C16H23BrClN and a molecular weight of 344.72 g/mol. Its IUPAC name is (1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine
PubChem CID82773268
Molecular FormulaC16H23BrClN
Molecular Weight344.72 g/mol
Exact Mass343.07
IUPAC Name(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine
SMILESCC(N[C@H](C)C1CCCCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H23BrClN/c1-11(13-6-4-3-5-7-13)19-12(2)15-9-8-14(17)10-16(15)18/h8-13,19H,3-7H2,1-2H3/t11-,12?/m1/s1
InChIKeyAPNVHMBJRMXTTJ-JHJMLUEUSA-N
XLogP5.72
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 ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine
CID 81391306
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine
CID 82774393
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 81384547
(1S)-1-cycloheptyl-N-[1-(2,3,4-trichlorophenyl)ethyl]ethanamine
CID 81391570
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopentylethanamine
CID 81395665
(1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine
CID 81392727
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
(1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine
CID 81396255
(1S)-N-[(4-bromo-2-chlorophenyl)methyl]-1-cyclohexylethanamine
CID 104862320
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383230
(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine
CID 81389871

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine?
The IUPAC name of (1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine (CID 82773268) is (1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine.
What is the SMILES notation for (1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine?
The canonical SMILES for (1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine is CC(N[C@H](C)C1CCCCC1)c1ccc(Br)cc1Cl.
What is the InChIKey of (1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine?
The InChIKey is APNVHMBJRMXTTJ-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H23BrClN/c1-11(13-6-4-3-5-7-13)19-12(2)15-9-8-14(17)10-16(15)18/h8-13,19H,3-7H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine?
(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine has a molecular weight of 344.72 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine is sourced from PubChem (CID 82773268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).