2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline

C15H16F2N2 — CID 79515822

IUPAC2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline
SMILESCCN(c1ccc(F)cc1)c1cccc(F)c1CN
InChIInChI=1S/C15H16F2N2/c1-2-19(12-8-6-11(16)7-9-12)15-5-3-4-14(17)13(15)10-18/h3-9H,2,10,18H2,1H3
InChIKeyNOGSKBIWSHZQOZ-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.58
Rot. Bonds4

About 2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline

2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline (PubChem CID 79515822) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline
PubChem CID79515822
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline
SMILESCCN(c1ccc(F)cc1)c1cccc(F)c1CN
InChIInChI=1S/C15H16F2N2/c1-2-19(12-8-6-11(16)7-9-12)15-5-3-4-14(17)13(15)10-18/h3-9H,2,10,18H2,1H3
InChIKeyNOGSKBIWSHZQOZ-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751
2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile
CID 79513025
3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 104834417
3-[2-(aminomethyl)-N-ethyl-3-fluoroanilino]-4-methylphenol
CID 107733625
2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 79516687
2-bromo-6-(N-ethyl-4-fluoroanilino)benzoic acid
CID 114888107
2-amino-3-(N-ethyl-4-fluoroanilino)benzenesulfonamide
CID 115992626
2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline
CID 107926166
2-(aminomethyl)-N-ethyl-N-phenylaniline
CID 28600877
(1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol
CID 78940914
2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 79515809
4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 66110346

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline?
The IUPAC name of 2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline (CID 79515822) is 2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline is CCN(c1ccc(F)cc1)c1cccc(F)c1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline?
The InChIKey is NOGSKBIWSHZQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-2-19(12-8-6-11(16)7-9-12)15-5-3-4-14(17)13(15)10-18/h3-9H,2,10,18H2,1H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline?
2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline has a molecular weight of 262.30 g/mol, XLogP of 3.58, 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-3-fluoro-N-(4-fluorophenyl)aniline is sourced from PubChem (CID 79515822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).