N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine

C16H24BrN — CID 63478195

IUPACN-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine
SMILESCCC(NCc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C16H24BrN/c1-2-16(14-6-4-3-5-7-14)18-12-13-8-10-15(17)11-9-13/h8-11,14,16,18H,2-7,12H2,1H3
InChIKeyGXGJETZTIABIMX-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.90
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine

N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine (PubChem CID 63478195) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine
PubChem CID63478195
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine
SMILESCCC(NCc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C16H24BrN/c1-2-16(14-6-4-3-5-7-14)18-12-13-8-10-15(17)11-9-13/h8-11,14,16,18H,2-7,12H2,1H3
InChIKeyGXGJETZTIABIMX-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437768
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 63478547
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine
CID 63476288
1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine
CID 62405925
4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol
CID 62405202
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 78921262
1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 63476982
(1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine
CID 10922765

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine (CID 63478195) is N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine is CCC(NCc1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine?
The InChIKey is GXGJETZTIABIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-2-16(14-6-4-3-5-7-14)18-12-13-8-10-15(17)11-9-13/h8-11,14,16,18H,2-7,12H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine?
N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine is sourced from PubChem (CID 63478195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).