[4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine

C14H13F2N — CID 54911954

IUPAC[4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine
SMILESCc1cc(F)ccc1-c1cc(CN)ccc1F
InChIInChI=1S/C14H13F2N/c1-9-6-11(15)3-4-12(9)13-7-10(8-17)2-5-14(13)16/h2-7H,8,17H2,1H3
InChIKeyWPQYOCLXEXIMGR-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.40
Rot. Bonds2

About [4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine

[4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine (PubChem CID 54911954) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is [4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine
PubChem CID54911954
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC Name[4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine
SMILESCc1cc(F)ccc1-c1cc(CN)ccc1F
InChIInChI=1S/C14H13F2N/c1-9-6-11(15)3-4-12(9)13-7-10(8-17)2-5-14(13)16/h2-7H,8,17H2,1H3
InChIKeyWPQYOCLXEXIMGR-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
CID 66479818
[4-(3,5-difluorophenyl)-3-methylphenyl]methanamine
CID 66479617
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772
[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methanamine
CID 105410096
[4-fluoro-3-(3-fluorophenyl)phenyl]methanamine
CID 46312433
[4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
CID 115502881
1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene
CID 82119039
[4-(5-fluoro-2-methylphenyl)phenyl]methanamine
CID 61026392
1-[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66481802
[3-(4-fluoro-2-methylphenyl)furan-2-yl]methanamine
CID 106886832
[3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 66479645
[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine
CID 54910100

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine?
The IUPAC name of [4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine (CID 54911954) is [4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine is Cc1cc(F)ccc1-c1cc(CN)ccc1F.
What is the InChIKey of [4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine?
The InChIKey is WPQYOCLXEXIMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c1-9-6-11(15)3-4-12(9)13-7-10(8-17)2-5-14(13)16/h2-7H,8,17H2,1H3.
What are the key properties of [4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine?
[4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine has a molecular weight of 233.26 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine is sourced from PubChem (CID 54911954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).