4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline

C14H13F2NO — CID 82131275

IUPAC4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(F)cc1CNc1ccc(F)cc1
InChIInChI=1S/C14H13F2NO/c1-18-14-7-4-12(16)8-10(14)9-17-13-5-2-11(15)3-6-13/h2-8,17H,9H2,1H3
InChIKeyKNYPTFPUQWMWID-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.59
Rot. Bonds4

About 4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline

4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline (PubChem CID 82131275) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
PubChem CID82131275
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(F)cc1CNc1ccc(F)cc1
InChIInChI=1S/C14H13F2NO/c1-18-14-7-4-12(16)8-10(14)9-17-13-5-2-11(15)3-6-13/h2-8,17H,9H2,1H3
InChIKeyKNYPTFPUQWMWID-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408473
4-[(5-fluoro-2-methoxyphenyl)methylamino]-N-hydroxybenzamide
CID 134492118
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-3-methylaniline
CID 115967998
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 115124144
N-[(2-bromo-5-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380826
N-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine
CID 22664253
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 43410818
2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol
CID 4279006
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile
CID 115130950
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-fluoroaniline
CID 66540256

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline (CID 82131275) is 4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline is COc1ccc(F)cc1CNc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline?
The InChIKey is KNYPTFPUQWMWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-18-14-7-4-12(16)8-10(14)9-17-13-5-2-11(15)3-6-13/h2-8,17H,9H2,1H3.
What are the key properties of 4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline?
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline has a molecular weight of 249.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 82131275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).