2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline

C16H19FN2 — CID 107926166

IUPAC2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline
SMILESCCN(c1ccc(F)cc1)c1ccc(C)cc1CN
InChIInChI=1S/C16H19FN2/c1-3-19(15-7-5-14(17)6-8-15)16-9-4-12(2)10-13(16)11-18/h4-10H,3,11,18H2,1-2H3
InChIKeyNOIJQPMYNXIAQP-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.75
Rot. Bonds4

About 2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline

2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline (PubChem CID 107926166) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline
PubChem CID107926166
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline
SMILESCCN(c1ccc(F)cc1)c1ccc(C)cc1CN
InChIInChI=1S/C16H19FN2/c1-3-19(15-7-5-14(17)6-8-15)16-9-4-12(2)10-13(16)11-18/h4-10H,3,11,18H2,1-2H3
InChIKeyNOIJQPMYNXIAQP-UHFFFAOYSA-N
XLogP3.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline 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

2-(N-ethyl-4-fluoroanilino)-4-methylbenzenecarbothioamide
CID 62303295
2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 43313949
2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline
CID 43313967
2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline
CID 79515822
2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 114861142
3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline
CID 102813839
2-(bromomethyl)-N-ethyl-4-fluoro-N-phenylaniline
CID 107079476
2-(aminomethyl)-N-ethyl-N-phenylaniline
CID 28600877
1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 62003547
N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63550661
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(4-methylphenyl)aniline
CID 63368905
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-methylaniline
CID 114016626

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline (CID 107926166) is 2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline is CCN(c1ccc(F)cc1)c1ccc(C)cc1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline?
The InChIKey is NOIJQPMYNXIAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-3-19(15-7-5-14(17)6-8-15)16-9-4-12(2)10-13(16)11-18/h4-10H,3,11,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline?
2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline has a molecular weight of 258.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline is sourced from PubChem (CID 107926166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).