3-(aminomethyl)-4-(2-fluorophenoxy)aniline

C13H13FN2O — CID 174383451

IUPAC3-(aminomethyl)-4-(2-fluorophenoxy)aniline
SMILESNCc1cc(N)ccc1Oc1ccccc1F
InChIInChI=1S/C13H13FN2O/c14-11-3-1-2-4-13(11)17-12-6-5-10(16)7-9(12)8-15/h1-7H,8,15-16H2
InChIKeyIHMONMQTNZDDRH-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.66
Rot. Bonds3

About 3-(aminomethyl)-4-(2-fluorophenoxy)aniline

3-(aminomethyl)-4-(2-fluorophenoxy)aniline (PubChem CID 174383451) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(2-fluorophenoxy)aniline.

Molecular Properties

Compound Name3-(aminomethyl)-4-(2-fluorophenoxy)aniline
PubChem CID174383451
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name3-(aminomethyl)-4-(2-fluorophenoxy)aniline
SMILESNCc1cc(N)ccc1Oc1ccccc1F
InChIInChI=1S/C13H13FN2O/c14-11-3-1-2-4-13(11)17-12-6-5-10(16)7-9(12)8-15/h1-7H,8,15-16H2
InChIKeyIHMONMQTNZDDRH-UHFFFAOYSA-N
XLogP2.66
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-4-(2-methylphenoxy)aniline
CID 174383964
2-[2-(2-fluorophenoxy)phenyl]ethanamine
CID 63817709
4-(2-aminophenoxy)-3-fluoroaniline
CID 66486737
[2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride
CID 157181289
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548
[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine
CID 43314193
[2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine
CID 114016683
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
3-amino-4-(2-fluorophenoxy)phenol
CID 14722258
[2-(2-fluorophenoxy)-5-methylphenyl]methanol
CID 114054543
[5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62298344
[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine
CID 114889959

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(2-fluorophenoxy)aniline?
The IUPAC name of 3-(aminomethyl)-4-(2-fluorophenoxy)aniline (CID 174383451) is 3-(aminomethyl)-4-(2-fluorophenoxy)aniline.
What is the SMILES notation for 3-(aminomethyl)-4-(2-fluorophenoxy)aniline?
The canonical SMILES for 3-(aminomethyl)-4-(2-fluorophenoxy)aniline is NCc1cc(N)ccc1Oc1ccccc1F.
What is the InChIKey of 3-(aminomethyl)-4-(2-fluorophenoxy)aniline?
The InChIKey is IHMONMQTNZDDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-11-3-1-2-4-13(11)17-12-6-5-10(16)7-9(12)8-15/h1-7H,8,15-16H2.
What are the key properties of 3-(aminomethyl)-4-(2-fluorophenoxy)aniline?
3-(aminomethyl)-4-(2-fluorophenoxy)aniline has a molecular weight of 232.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(2-fluorophenoxy)aniline is sourced from PubChem (CID 174383451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).