3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol

C16H19FN2O — CID 107733625

IUPAC3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol
SMILESCCN(c1cc(O)ccc1C)c1cccc(F)c1CN
InChIInChI=1S/C16H19FN2O/c1-3-19(16-9-12(20)8-7-11(16)2)15-6-4-5-14(17)13(15)10-18/h4-9,20H,3,10,18H2,1-2H3
InChIKeyBTZRFUBPJMSGFS-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.46
Rot. Bonds4

About 3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol

3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol (PubChem CID 107733625) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol.

Molecular Properties

Compound Name3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol
PubChem CID107733625
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol
SMILESCCN(c1cc(O)ccc1C)c1cccc(F)c1CN
InChIInChI=1S/C16H19FN2O/c1-3-19(16-9-12(20)8-7-11(16)2)15-6-4-5-14(17)13(15)10-18/h4-9,20H,3,10,18H2,1-2H3
InChIKeyBTZRFUBPJMSGFS-UHFFFAOYSA-N
XLogP3.46
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]-ethylamino]-4-methylphenol
CID 107733638
2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline
CID 79515822
2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751
3-[2-(aminomethyl)-4-bromo-N-ethylanilino]-4-methylphenol
CID 107733634
2-chloro-6-(N-ethyl-5-hydroxy-2-methylanilino)benzenecarbothioamide
CID 107735439
3-[[3-(aminomethyl)-6-methyl-2-pyridinyl]-ethylamino]-4-methylphenol
CID 107733645
6-(N-ethyl-5-hydroxy-2-methylanilino)pyridine-2-carbothioamide
CID 107735430
2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 79516687
3-[ethyl(hydroxy)amino]-4-methylphenol
CID 174961453
3-[2-(aminomethyl)-N-ethyl-3-ethylsulfanylanilino]phenol
CID 107733719
4-[[2-[amino(methyl)amino]-6-fluorophenyl]methoxy]-3-methylphenol
CID 129110158
2-(aminomethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 55125489

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol?
The IUPAC name of 3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol (CID 107733625) is 3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol.
What is the SMILES notation for 3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol?
The canonical SMILES for 3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol is CCN(c1cc(O)ccc1C)c1cccc(F)c1CN.
What is the InChIKey of 3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol?
The InChIKey is BTZRFUBPJMSGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-19(16-9-12(20)8-7-11(16)2)15-6-4-5-14(17)13(15)10-18/h4-9,20H,3,10,18H2,1-2H3.
What are the key properties of 3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol?
3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol has a molecular weight of 274.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol is sourced from PubChem (CID 107733625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).