(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine

C14H12F3N — CID 115859741

IUPAC(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2c(F)cccc2F)c1F
InChIInChI=1S/C14H12F3N/c1-8-4-2-5-9(13(8)17)14(18)12-10(15)6-3-7-11(12)16/h2-7,14H,18H2,1H3
InChIKeyIJYCSRFEQVSOJI-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.46
Rot. Bonds2

About (2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine

(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine (PubChem CID 115859741) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
PubChem CID115859741
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2c(F)cccc2F)c1F
InChIInChI=1S/C14H12F3N/c1-8-4-2-5-9(13(8)17)14(18)12-10(15)6-3-7-11(12)16/h2-7,14H,18H2,1H3
InChIKeyIJYCSRFEQVSOJI-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 105051988
(2-chloro-6-fluorophenyl)-(2-methylphenyl)methanamine
CID 82087273
(2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81480693
(2-chloro-6-fluorophenyl)-(2-iodo-3-methylphenyl)methanamine
CID 114275416
(2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81478085
(4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 115850579
(1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine
CID 125426218
(4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477384
(2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine
CID 55101767
(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477083
(2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine
CID 115855456
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine?
The IUPAC name of (2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine (CID 115859741) is (2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for (2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine is Cc1cccc(C(N)c2c(F)cccc2F)c1F.
What is the InChIKey of (2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine?
The InChIKey is IJYCSRFEQVSOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-8-4-2-5-9(13(8)17)14(18)12-10(15)6-3-7-11(12)16/h2-7,14H,18H2,1H3.
What are the key properties of (2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine?
(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine has a molecular weight of 251.25 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 115859741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).