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

C15H15BrFN — CID 113344499

IUPACN-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine
SMILESCc1ccc(CNCc2ccc(F)cc2)cc1Br
InChIInChI=1S/C15H15BrFN/c1-11-2-3-13(8-15(11)16)10-18-9-12-4-6-14(17)7-5-12/h2-8,18H,9-10H2,1H3
InChIKeyCBONPGNUHPFCDQ-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.19
Rot. Bonds4

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

N-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 113344499) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine
PubChem CID113344499
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC NameN-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine
SMILESCc1ccc(CNCc2ccc(F)cc2)cc1Br
InChIInChI=1S/C15H15BrFN/c1-11-2-3-13(8-15(11)16)10-18-9-12-4-6-14(17)7-5-12/h2-8,18H,9-10H2,1H3
InChIKeyCBONPGNUHPFCDQ-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 115876137
N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 81471854
4-[[(3-bromo-4-methylphenyl)methylamino]methyl]-N,N-dimethylaniline
CID 115875937
N-[(3-bromo-4-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 105401425
N-[(3-bromo-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 105400992
3-[(3-bromo-4-methylphenyl)methylamino]-2,2-difluoropropan-1-ol
CID 104857841
1-(3-bromo-4-methylphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 105401529
N-[(3-bromo-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 29222747
N-[(3-bromo-4-methylphenyl)methyl]hexan-1-amine
CID 105401081
N-[(3-bromo-4-methylphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405445
N-[(3-bromo-4-methylphenyl)methyl]-5,5,5-trifluoropentan-1-amine
CID 113344570
1-(1,3-benzodioxol-5-yl)-N-[(3-bromo-4-methylphenyl)methyl]methanamine
CID 115875869

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine (CID 113344499) is N-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine is Cc1ccc(CNCc2ccc(F)cc2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is CBONPGNUHPFCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-11-2-3-13(8-15(11)16)10-18-9-12-4-6-14(17)7-5-12/h2-8,18H,9-10H2,1H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine?
N-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 308.19 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 113344499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).