N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine

C16H16F3N — CID 62790553

IUPACN-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)c1ccc(F)cc1C
InChIInChI=1S/C16H16F3N/c1-3-20-16(11-7-13(18)9-14(19)8-11)15-5-4-12(17)6-10(15)2/h4-9,16,20H,3H2,1-2H3
InChIKeyVPXQGANIDUABRK-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.11
Rot. Bonds4

About N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine

N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine (PubChem CID 62790553) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
PubChem CID62790553
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC NameN-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)c1ccc(F)cc1C
InChIInChI=1S/C16H16F3N/c1-3-20-16(11-7-13(18)9-14(19)8-11)15-5-4-12(17)6-10(15)2/h4-9,16,20H,3H2,1-2H3
InChIKeyVPXQGANIDUABRK-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluoro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 63412127
N-[(3-bromo-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852310
N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81269079
N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81273573
N-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852524
N-[(3,5-difluorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 66272491
N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852352
N-[(2-ethylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852479
N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 62388086
N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 63502767
N-[(2,4-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43491057
N-[(3-bromo-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 106645960

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine (CID 62790553) is N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine is CCNC(c1cc(F)cc(F)c1)c1ccc(F)cc1C.
What is the InChIKey of N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The InChIKey is VPXQGANIDUABRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-3-20-16(11-7-13(18)9-14(19)8-11)15-5-4-12(17)6-10(15)2/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine has a molecular weight of 279.31 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 62790553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).