N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine

C15H15BrFN — CID 60701425

IUPACN-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2ccccc2Br)cc1F
InChIInChI=1S/C15H15BrFN/c1-11-6-7-12(8-15(11)17)9-18-10-13-4-2-3-5-14(13)16/h2-8,18H,9-10H2,1H3
InChIKeyPXXXTWNKAAPJAA-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.19
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine

N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine (PubChem CID 60701425) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
PubChem CID60701425
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC NameN-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2ccccc2Br)cc1F
InChIInChI=1S/C15H15BrFN/c1-11-6-7-12(8-15(11)17)9-18-10-13-4-2-3-5-14(13)16/h2-8,18H,9-10H2,1H3
InChIKeyPXXXTWNKAAPJAA-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

1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine
CID 43221037
N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 115876137
N-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 61401469
N-[(2-bromophenyl)methyl]-1-(4-chloro-2-methylphenyl)methanamine
CID 114075412
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 55244423
1-(3-bromo-4-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 115875971
1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 78982782
N-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine
CID 65476357
4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 28679649
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55244992
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 112705206
N-[(3-bromo-4-methylphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 113344499

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine (CID 60701425) is N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine is Cc1ccc(CNCc2ccccc2Br)cc1F.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine?
The InChIKey is PXXXTWNKAAPJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-11-6-7-12(8-15(11)17)9-18-10-13-4-2-3-5-14(13)16/h2-8,18H,9-10H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine?
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)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-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 60701425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).