N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine

C15H22BrN — CID 63453704

IUPACN-[(2-bromophenyl)methyl]-1-cyclohexylethanamine
SMILESCC(NCc1ccccc1Br)C1CCCCC1
InChIInChI=1S/C15H22BrN/c1-12(13-7-3-2-4-8-13)17-11-14-9-5-6-10-15(14)16/h5-6,9-10,12-13,17H,2-4,7-8,11H2,1H3
InChIKeyLGCQPFLMTHHZKJ-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.51
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine

N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine (PubChem CID 63453704) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-cyclohexylethanamine
PubChem CID63453704
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC NameN-[(2-bromophenyl)methyl]-1-cyclohexylethanamine
SMILESCC(NCc1ccccc1Br)C1CCCCC1
InChIInChI=1S/C15H22BrN/c1-12(13-7-3-2-4-8-13)17-11-14-9-5-6-10-15(14)16/h5-6,9-10,12-13,17H,2-4,7-8,11H2,1H3
InChIKeyLGCQPFLMTHHZKJ-UHFFFAOYSA-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

N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
CID 62632119
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738
1-cyclohexyl-N-(naphthalen-1-ylmethyl)ethanamine
CID 63477824
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol
CID 61390496
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
(1R)-1-cyclopentyl-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 81395717
1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 62405544
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
2-[[[(1R)-1-cyclopentylethyl]amino]methyl]benzonitrile
CID 114017957
(1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine
CID 81384906
methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate
CID 115462242

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine (CID 63453704) is N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine is CC(NCc1ccccc1Br)C1CCCCC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine?
The InChIKey is LGCQPFLMTHHZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-12(13-7-3-2-4-8-13)17-11-14-9-5-6-10-15(14)16/h5-6,9-10,12-13,17H,2-4,7-8,11H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine?
N-[(2-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 N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine is sourced from PubChem (CID 63453704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).