N-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine

C17H26BrN — CID 115262532

IUPACN-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCBr)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H26BrN/c1-17(2,12-19-13-18)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,14,19H,3-7,12-13H2,1-2H3
InChIKeyVOYVKNYTLRARMT-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.95
Rot. Bonds5

About N-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine

N-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine (PubChem CID 115262532) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine
PubChem CID115262532
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCBr)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H26BrN/c1-17(2,12-19-13-18)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,14,19H,3-7,12-13H2,1-2H3
InChIKeyVOYVKNYTLRARMT-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene
CID 90932670
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 24843348
3-(4-cyclopentylphenyl)-3-methylbutanoic acid
CID 117368480
4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol
CID 174733331
3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466
1-(tert-butylamino)-2-(4-cyclobutylphenyl)propan-2-ol
CID 116507022
2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine
CID 89089279
N-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine
CID 115262544
2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol
CID 116507021
N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride
CID 119625808
1-amino-2-(4-cyclobutylphenyl)propan-2-ol
CID 116505464
2-(4-cyclobutylphenyl)butan-2-ol
CID 116505233

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine?
The IUPAC name of N-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine (CID 115262532) is N-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine is CC(C)(CNCBr)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine?
The InChIKey is VOYVKNYTLRARMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-17(2,12-19-13-18)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,14,19H,3-7,12-13H2,1-2H3.
What are the key properties of N-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine?
N-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115262532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).