4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline

C11H14F4N2 — CID 113295424

IUPAC4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1ccc(CN)c(F)c1
InChIInChI=1S/C11H14F4N2/c1-2-17(7-11(13,14)15)9-4-3-8(6-16)10(12)5-9/h3-5H,2,6-7,16H2,1H3
InChIKeyLLDJXTZHRADCQT-UHFFFAOYSA-N
MW250.24 g/mol
LogP2.67
Rot. Bonds4

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

4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 113295424) has the molecular formula C11H14F4N2 and a molecular weight of 250.24 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
PubChem CID113295424
Molecular FormulaC11H14F4N2
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Name4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1ccc(CN)c(F)c1
InChIInChI=1S/C11H14F4N2/c1-2-17(7-11(13,14)15)9-4-3-8(6-16)10(12)5-9/h3-5H,2,6-7,16H2,1H3
InChIKeyLLDJXTZHRADCQT-UHFFFAOYSA-N
XLogP2.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 115366634
1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol
CID 113295462
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline
CID 115366683
4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
CID 83383786
2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008972
[4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol
CID 62135558
4-(aminomethyl)-3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 107274847
2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
CID 115366775
N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 10262797
4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline
CID 115366816
4-(aminomethyl)-3-bromo-N,N-diethylaniline
CID 107274646
2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 79516687

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline (CID 113295424) is 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline is CCN(CC(F)(F)F)c1ccc(CN)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is LLDJXTZHRADCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2/c1-2-17(7-11(13,14)15)9-4-3-8(6-16)10(12)5-9/h3-5H,2,6-7,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline?
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 250.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 113295424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).