3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline

C14H12F3NO — CID 104791512

IUPAC3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CNc2cc(F)cc(F)c2)c1F
InChIInChI=1S/C14H12F3NO/c1-19-13-4-2-3-9(14(13)17)8-18-12-6-10(15)5-11(16)7-12/h2-7,18H,8H2,1H3
InChIKeyVRAZKFFMAJSKPR-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.72
Rot. Bonds4

About 3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline

3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline (PubChem CID 104791512) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
PubChem CID104791512
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CNc2cc(F)cc(F)c2)c1F
InChIInChI=1S/C14H12F3NO/c1-19-13-4-2-3-9(14(13)17)8-18-12-6-10(15)5-11(16)7-12/h2-7,18H,8H2,1H3
InChIKeyVRAZKFFMAJSKPR-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791484
2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104792036
4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline
CID 104791781
4-(chloromethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104794881
N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylsulfanylaniline
CID 104791450
4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791660
2,6-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791540
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 103818353
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
4-[(2-fluoro-3-methoxyphenyl)methylamino]benzamide
CID 104791467
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline
CID 43425592
4-chloro-2-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791665

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline?
The IUPAC name of 3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline (CID 104791512) is 3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline?
The canonical SMILES for 3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline is COc1cccc(CNc2cc(F)cc(F)c2)c1F.
What is the InChIKey of 3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline?
The InChIKey is VRAZKFFMAJSKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-19-13-4-2-3-9(14(13)17)8-18-12-6-10(15)5-11(16)7-12/h2-7,18H,8H2,1H3.
What are the key properties of 3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline?
3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline has a molecular weight of 267.25 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 104791512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).