N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine

C15H21BrFN — CID 55192224

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H21BrFN/c1-11-5-3-4-6-15(11)18(2)10-12-7-8-13(17)9-14(12)16/h7-9,11,15H,3-6,10H2,1-2H3
InChIKeyRPIQHGBEIUTFNF-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.60
Rot. Bonds3

About N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine

N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 55192224) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID55192224
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H21BrFN/c1-11-5-3-4-6-15(11)18(2)10-12-7-8-13(17)9-14(12)16/h7-9,11,15H,3-6,10H2,1-2H3
InChIKeyRPIQHGBEIUTFNF-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 64770644
4-fluoro-2-[[methyl-(2-methylcyclohexyl)amino]methyl]benzenecarbothioamide
CID 64763943
N-[(5-fluoro-2-nitrophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 112841310
N-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 63458821
N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974386
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55192223
4-bromo-2-methyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol
CID 112621836
N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55218464
2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol
CID 82986680
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637410
6-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3-benzodioxol-5-ol
CID 47164420
2-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]cyclohexan-1-ol
CID 102631680

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine (CID 55192224) is N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine is CC1CCCCC1N(C)Cc1ccc(F)cc1Br.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is RPIQHGBEIUTFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-11-5-3-4-6-15(11)18(2)10-12-7-8-13(17)9-14(12)16/h7-9,11,15H,3-6,10H2,1-2H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine?
N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 314.24 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 55192224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).