N-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine

C15H21BrFN — CID 63458821

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine
SMILESCN(Cc1ccc(F)cc1Br)CC1CCCCC1
InChIInChI=1S/C15H21BrFN/c1-18(10-12-5-3-2-4-6-12)11-13-7-8-14(17)9-15(13)16/h7-9,12H,2-6,10-11H2,1H3
InChIKeyKMZOAZVMWDBJNG-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.60
Rot. Bonds4

About N-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine

N-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine (PubChem CID 63458821) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine
PubChem CID63458821
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine
SMILESCN(Cc1ccc(F)cc1Br)CC1CCCCC1
InChIInChI=1S/C15H21BrFN/c1-18(10-12-5-3-2-4-6-12)11-13-7-8-14(17)9-15(13)16/h7-9,12H,2-6,10-11H2,1H3
InChIKeyKMZOAZVMWDBJNG-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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-bromo-4-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79315406
methyl 3-bromo-4-[[cyclohexylmethyl(methyl)amino]methyl]benzoate
CID 102767216
N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55192224
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 61445030
N-[[3-bromo-4-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102770756
N-[[3-bromo-4-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 102770757
2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline
CID 113335088
3-bromo-4-[[cyclopropylmethyl(methyl)amino]methyl]benzoic acid
CID 102767076
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 115557204
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974386

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine (CID 63458821) is N-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine is CN(Cc1ccc(F)cc1Br)CC1CCCCC1.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine?
The InChIKey is KMZOAZVMWDBJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-18(10-12-5-3-2-4-6-12)11-13-7-8-14(17)9-15(13)16/h7-9,12H,2-6,10-11H2,1H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine?
N-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine has a molecular weight of 314.24 g/mol, XLogP of 4.60, 4 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]-1-cyclohexyl-N-methylmethanamine is sourced from PubChem (CID 63458821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).