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

C15H15BrFN — CID 60705124

IUPAC1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine
SMILESCc1cc(CNCc2cccc(Br)c2)ccc1F
InChIInChI=1S/C15H15BrFN/c1-11-7-13(5-6-15(11)17)10-18-9-12-3-2-4-14(16)8-12/h2-8,18H,9-10H2,1H3
InChIKeySVURDLIRMCLKPA-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.19
Rot. Bonds4

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

1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine (PubChem CID 60705124) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine
PubChem CID60705124
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine
SMILESCc1cc(CNCc2cccc(Br)c2)ccc1F
InChIInChI=1S/C15H15BrFN/c1-11-7-13(5-6-15(11)17)10-18-9-12-3-2-4-14(16)8-12/h2-8,18H,9-10H2,1H3
InChIKeySVURDLIRMCLKPA-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-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 54984173
3-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzoic acid
CID 84761697
N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62538091
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-bromo-3-methylphenyl)methanamine
CID 66472819
N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437645
N-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine
CID 115523883
N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60700066
N-[(4-fluoro-3-methylphenyl)methyl]-3-phenylpropan-1-amine
CID 60705049
2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62121783
2,2,2-trifluoro-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62120717
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine
CID 66472041

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine (CID 60705124) is 1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine is Cc1cc(CNCc2cccc(Br)c2)ccc1F.
What is the InChIKey of 1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine?
The InChIKey is SVURDLIRMCLKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-11-7-13(5-6-15(11)17)10-18-9-12-3-2-4-14(16)8-12/h2-8,18H,9-10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine?
1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]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 1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine is sourced from PubChem (CID 60705124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).