N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine

C15H21BrFN — CID 81436280

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(CNCc2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C15H21BrFN/c1-11-2-4-12(5-3-11)9-18-10-13-6-7-14(16)15(17)8-13/h6-8,11-12,18H,2-5,9-10H2,1H3
InChIKeyZQUVOHVDEIZFPA-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.50
Rot. Bonds4

About N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine

N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine (PubChem CID 81436280) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
PubChem CID81436280
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(CNCc2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C15H21BrFN/c1-11-2-4-12(5-3-11)9-18-10-13-6-7-14(16)15(17)8-13/h6-8,11-12,18H,2-5,9-10H2,1H3
InChIKeyZQUVOHVDEIZFPA-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114076532
2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol
CID 79831125
methyl 2-fluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]benzoate
CID 106700027
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411830
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63464064
N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 66472811
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114842332
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63463735
1-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 81431518
1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine
CID 142228898
4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213421
1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 81437105

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine (CID 81436280) is N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine is CC1CCC(CNCc2ccc(Br)c(F)c2)CC1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine?
The InChIKey is ZQUVOHVDEIZFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-11-2-4-12(5-3-11)9-18-10-13-6-7-14(16)15(17)8-13/h6-8,11-12,18H,2-5,9-10H2,1H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine?
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine has a molecular weight of 314.24 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 81436280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).