3-(aminomethyl)-5-fluoro-N-(2-methoxyphenyl)aniline

C14H15FN2O — CID 170765592

IUPAC3-(aminomethyl)-5-fluoro-N-(2-methoxyphenyl)aniline
SMILESCOc1ccccc1Nc1cc(F)cc(CN)c1
InChIInChI=1S/C14H15FN2O/c1-18-14-5-3-2-4-13(14)17-12-7-10(9-16)6-11(15)8-12/h2-8,17H,9,16H2,1H3
InChIKeyJFBKXWREAOLFEN-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.04
Rot. Bonds4

About 3-(aminomethyl)-5-fluoro-N-(2-methoxyphenyl)aniline

3-(aminomethyl)-5-fluoro-N-(2-methoxyphenyl)aniline (PubChem CID 170765592) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-(aminomethyl)-5-fluoro-N-(2-methoxyphenyl)aniline.

Molecular Properties

Compound Name3-(aminomethyl)-5-fluoro-N-(2-methoxyphenyl)aniline
PubChem CID170765592
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name3-(aminomethyl)-5-fluoro-N-(2-methoxyphenyl)aniline
SMILESCOc1ccccc1Nc1cc(F)cc(CN)c1
InChIInChI=1S/C14H15FN2O/c1-18-14-5-3-2-4-13(14)17-12-7-10(9-16)6-11(15)8-12/h2-8,17H,9,16H2,1H3
InChIKeyJFBKXWREAOLFEN-UHFFFAOYSA-N
XLogP3.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-fluoro-N-(2-methoxyphenyl)aniline?
The IUPAC name of 3-(aminomethyl)-5-fluoro-N-(2-methoxyphenyl)aniline (CID 170765592) is 3-(aminomethyl)-5-fluoro-N-(2-methoxyphenyl)aniline.
What is the SMILES notation for 3-(aminomethyl)-5-fluoro-N-(2-methoxyphenyl)aniline?
The canonical SMILES for 3-(aminomethyl)-5-fluoro-N-(2-methoxyphenyl)aniline is COc1ccccc1Nc1cc(F)cc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-5-fluoro-N-(2-methoxyphenyl)aniline?
The InChIKey is JFBKXWREAOLFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-18-14-5-3-2-4-13(14)17-12-7-10(9-16)6-11(15)8-12/h2-8,17H,9,16H2,1H3.
What are the key properties of 3-(aminomethyl)-5-fluoro-N-(2-methoxyphenyl)aniline?
3-(aminomethyl)-5-fluoro-N-(2-methoxyphenyl)aniline has a molecular weight of 246.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-fluoro-N-(2-methoxyphenyl)aniline is sourced from PubChem (CID 170765592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).