1-[3-(3,5-difluorophenyl)phenyl]ethanamine

C14H13F2N — CID 54911738

IUPAC1-[3-(3,5-difluorophenyl)phenyl]ethanamine
SMILESCC(N)c1cccc(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H13F2N/c1-9(17)10-3-2-4-11(5-10)12-6-13(15)8-14(16)7-12/h2-9H,17H2,1H3
InChIKeyAGBGPNPAHPNPBO-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.65
Rot. Bonds2

About 1-[3-(3,5-difluorophenyl)phenyl]ethanamine

1-[3-(3,5-difluorophenyl)phenyl]ethanamine (PubChem CID 54911738) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-[3-(3,5-difluorophenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(3,5-difluorophenyl)phenyl]ethanamine
PubChem CID54911738
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC Name1-[3-(3,5-difluorophenyl)phenyl]ethanamine
SMILESCC(N)c1cccc(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H13F2N/c1-9(17)10-3-2-4-11(5-10)12-6-13(15)8-14(16)7-12/h2-9H,17H2,1H3
InChIKeyAGBGPNPAHPNPBO-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-fluorophenyl)phenyl]ethanamine
CID 61026318
1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine
CID 54910225
1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine
CID 54911563
1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114731929
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021
1-[3-(4-ethylphenyl)phenyl]ethanamine
CID 55134062
1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine
CID 79689806
(1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine
CID 171383542
1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine
CID 82541962
1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine
CID 82812526
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
CID 82541578

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-difluorophenyl)phenyl]ethanamine?
The IUPAC name of 1-[3-(3,5-difluorophenyl)phenyl]ethanamine (CID 54911738) is 1-[3-(3,5-difluorophenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(3,5-difluorophenyl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(3,5-difluorophenyl)phenyl]ethanamine is CC(N)c1cccc(-c2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-[3-(3,5-difluorophenyl)phenyl]ethanamine?
The InChIKey is AGBGPNPAHPNPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c1-9(17)10-3-2-4-11(5-10)12-6-13(15)8-14(16)7-12/h2-9H,17H2,1H3.
What are the key properties of 1-[3-(3,5-difluorophenyl)phenyl]ethanamine?
1-[3-(3,5-difluorophenyl)phenyl]ethanamine has a molecular weight of 233.26 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-difluorophenyl)phenyl]ethanamine is sourced from PubChem (CID 54911738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).