N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine

C16H24BrN — CID 81383884

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
SMILESCC(N[C@@H](C)c1ccccc1Br)C1CCCCC1
InChIInChI=1S/C16H24BrN/c1-12(14-8-4-3-5-9-14)18-13(2)15-10-6-7-11-16(15)17/h6-7,10-14,18H,3-5,8-9H2,1-2H3/t12?,13-/m0/s1
InChIKeyOOFHREAAAATWGM-ABLWVSNPSA-N
MW310.28 g/mol
LogP5.07
Rot. Bonds4

About N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine

N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine (PubChem CID 81383884) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
PubChem CID81383884
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
SMILESCC(N[C@@H](C)c1ccccc1Br)C1CCCCC1
InChIInChI=1S/C16H24BrN/c1-12(14-8-4-3-5-9-14)18-13(2)15-10-6-7-11-16(15)17/h6-7,10-14,18H,3-5,8-9H2,1-2H3/t12?,13-/m0/s1
InChIKeyOOFHREAAAATWGM-ABLWVSNPSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.28
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383230
(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine
CID 81389871
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 81383862
(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722
(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine
CID 81391306
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 81384547
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopentylethanamine
CID 81395665
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
(1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine
CID 81390973
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 103906303

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine (CID 81383884) is N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine is CC(N[C@@H](C)c1ccccc1Br)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine?
The InChIKey is OOFHREAAAATWGM-ABLWVSNPSA-N. The full InChI is InChI=1S/C16H24BrN/c1-12(14-8-4-3-5-9-14)18-13(2)15-10-6-7-11-16(15)17/h6-7,10-14,18H,3-5,8-9H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine?
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine has a molecular weight of 310.28 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine is sourced from PubChem (CID 81383884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).