4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline

C16H18F2N2 — CID 62980166

IUPAC4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
SMILESCC(c1ccccc1F)N(C)c1ccc(CN)cc1F
InChIInChI=1S/C16H18F2N2/c1-11(13-5-3-4-6-14(13)17)20(2)16-8-7-12(10-19)9-15(16)18/h3-9,11H,10,19H2,1-2H3
InChIKeyHJXXOEQPJMIISA-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.62
Rot. Bonds4

About 4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline

4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline (PubChem CID 62980166) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
PubChem CID62980166
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
SMILESCC(c1ccccc1F)N(C)c1ccc(CN)cc1F
InChIInChI=1S/C16H18F2N2/c1-11(13-5-3-4-6-14(13)17)20(2)16-8-7-12(10-19)9-15(16)18/h3-9,11H,10,19H2,1-2H3
InChIKeyHJXXOEQPJMIISA-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethylaniline
CID 62980338
4-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylaniline
CID 63567303
4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
CID 107532357
4-chloro-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 62980215
1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol
CID 62335484
4-chloro-2-N-[1-(2-fluorophenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468939
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 107878398
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60938948
3-N-[1-(2-fluorophenyl)ethyl]-3-N,2-dimethylbenzene-1,3-diamine
CID 63062748
(1S)-1-[3-bromo-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78938511
4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline
CID 28965098
1-[3-chloro-4-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanol
CID 62980067

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline (CID 62980166) is 4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline is CC(c1ccccc1F)N(C)c1ccc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline?
The InChIKey is HJXXOEQPJMIISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-11(13-5-3-4-6-14(13)17)20(2)16-8-7-12(10-19)9-15(16)18/h3-9,11H,10,19H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline?
4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline has a molecular weight of 276.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline is sourced from PubChem (CID 62980166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).