1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine

C16H16F3N — CID 103943659

IUPAC1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCc1ccc(F)cc1CNC(C)c1cc(F)ccc1F
InChIInChI=1S/C16H16F3N/c1-10-3-4-13(17)7-12(10)9-20-11(2)15-8-14(18)5-6-16(15)19/h3-8,11,20H,9H2,1-2H3
InChIKeyZTVYVSDXYRVECL-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.26
Rot. Bonds4

About 1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine

1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine (PubChem CID 103943659) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
PubChem CID103943659
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCc1ccc(F)cc1CNC(C)c1cc(F)ccc1F
InChIInChI=1S/C16H16F3N/c1-10-3-4-13(17)7-12(10)9-20-11(2)15-8-14(18)5-6-16(15)19/h3-8,11,20H,9H2,1-2H3
InChIKeyZTVYVSDXYRVECL-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
1-(5-fluoro-2-methoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943695
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine
CID 61016312
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
1-(2,5-difluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 79578537
(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 105371284
N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 55176100
1-(5-bromo-2-fluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81301866
1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 63983699
4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol
CID 64912368
1-(2,5-dimethylphenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62134587
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61015592

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine (CID 103943659) is 1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine is Cc1ccc(F)cc1CNC(C)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine?
The InChIKey is ZTVYVSDXYRVECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-10-3-4-13(17)7-12(10)9-20-11(2)15-8-14(18)5-6-16(15)19/h3-8,11,20H,9H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine?
1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine has a molecular weight of 279.31 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 103943659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).