4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline

C14H15FN2O — CID 82295213

IUPAC4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(Nc2ccc(CN)cc2F)cc1
InChIInChI=1S/C14H15FN2O/c1-18-12-5-3-11(4-6-12)17-14-7-2-10(9-16)8-13(14)15/h2-8,17H,9,16H2,1H3
InChIKeyXCAWOLXMIIIVAN-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.04
Rot. Bonds4

About 4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline

4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline (PubChem CID 82295213) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline
PubChem CID82295213
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(Nc2ccc(CN)cc2F)cc1
InChIInChI=1S/C14H15FN2O/c1-18-12-5-3-11(4-6-12)17-14-7-2-10(9-16)8-13(14)15/h2-8,17H,9,16H2,1H3
InChIKeyXCAWOLXMIIIVAN-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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Related Compounds

N-(2-fluoro-4-methoxyphenyl)naphthalen-2-amine
CID 82536277
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
N-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline
CID 82294319
4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline
CID 82303954
4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline
CID 82303958
3,5-difluoro-1-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 113325112
4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline
CID 82297676
[3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine
CID 81441338
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
4-(2-aminoethyl)-2-fluoro-N-phenylaniline
CID 82288843
3-[4-(aminomethyl)-2-fluoroanilino]benzonitrile
CID 82292940
3,4,5-trifluoro-N-(4-methoxyphenyl)aniline
CID 52951070

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline?
The IUPAC name of 4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline (CID 82295213) is 4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline?
The canonical SMILES for 4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline is COc1ccc(Nc2ccc(CN)cc2F)cc1.
What is the InChIKey of 4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline?
The InChIKey is XCAWOLXMIIIVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-18-12-5-3-11(4-6-12)17-14-7-2-10(9-16)8-13(14)15/h2-8,17H,9,16H2,1H3.
What are the key properties of 4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline?
4-(aminomethyl)-2-fluoro-N-(4-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 4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline is sourced from PubChem (CID 82295213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).