(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine

C15H22BrN — CID 81384290

IUPAC(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
SMILESC[C@@H](NCc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C15H22BrN/c1-12(14-5-3-2-4-6-14)17-11-13-7-9-15(16)10-8-13/h7-10,12,14,17H,2-6,11H2,1H3/t12-/m1/s1
InChIKeyHJJXMCRUQCQKJW-GFCCVEGCSA-N
MW296.25 g/mol
LogP4.51
Rot. Bonds4

About (1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine

(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine (PubChem CID 81384290) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is (1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
PubChem CID81384290
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
SMILESC[C@@H](NCc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C15H22BrN/c1-12(14-5-3-2-4-6-14)17-11-13-7-9-15(16)10-8-13/h7-10,12,14,17H,2-6,11H2,1H3/t12-/m1/s1
InChIKeyHJJXMCRUQCQKJW-GFCCVEGCSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470
(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920
(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 54937659
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81387900
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine
CID 81392983
N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine
CID 63478195
4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline
CID 43769966
(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine
CID 118957385

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine?
The IUPAC name of (1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine (CID 81384290) is (1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine.
What is the SMILES notation for (1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine?
The canonical SMILES for (1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine is C[C@@H](NCc1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of (1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine?
The InChIKey is HJJXMCRUQCQKJW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22BrN/c1-12(14-5-3-2-4-6-14)17-11-13-7-9-15(16)10-8-13/h7-10,12,14,17H,2-6,11H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine?
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine has a molecular weight of 296.25 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine is sourced from PubChem (CID 81384290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).