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

C15H14F3N — CID 55024563

IUPACN-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(CNCc2ccc(F)c(F)c2)ccc1F
InChIInChI=1S/C15H14F3N/c1-10-6-11(2-4-13(10)16)8-19-9-12-3-5-14(17)15(18)7-12/h2-7,19H,8-9H2,1H3
InChIKeyMBHKICPGEUHABK-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.70
Rot. Bonds4

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

N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine (PubChem CID 55024563) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
PubChem CID55024563
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(CNCc2ccc(F)c(F)c2)ccc1F
InChIInChI=1S/C15H14F3N/c1-10-6-11(2-4-13(10)16)8-19-9-12-3-5-14(17)15(18)7-12/h2-7,19H,8-9H2,1H3
InChIKeyMBHKICPGEUHABK-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62538091
N-[(3-bromo-4-methylphenyl)methyl]-1-(3,4-difluorophenyl)methanamine
CID 115876137
2,2,2-trifluoro-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62120717
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115652761
1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine
CID 60705124
N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62692850
3,3,3-trifluoro-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63226166
N-[(4-fluoro-3-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 63378460
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60704987
N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
CID 55040391
1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698678

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine (CID 55024563) is N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine is Cc1cc(CNCc2ccc(F)c(F)c2)ccc1F.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine?
The InChIKey is MBHKICPGEUHABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-10-6-11(2-4-13(10)16)8-19-9-12-3-5-14(17)15(18)7-12/h2-7,19H,8-9H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine?
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine has a molecular weight of 265.28 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 55024563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).