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

C11H14F4N2 — CID 79516687

IUPAC2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1cccc(F)c1CN
InChIInChI=1S/C11H14F4N2/c1-2-17(7-11(13,14)15)10-5-3-4-9(12)8(10)6-16/h3-5H,2,6-7,16H2,1H3
InChIKeyVTKFVWOIJGMQKA-UHFFFAOYSA-N
MW250.24 g/mol
LogP2.67
Rot. Bonds4

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

2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 79516687) has the molecular formula C11H14F4N2 and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
PubChem CID79516687
Molecular FormulaC11H14F4N2
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Name2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1cccc(F)c1CN
InChIInChI=1S/C11H14F4N2/c1-2-17(7-11(13,14)15)10-5-3-4-9(12)8(10)6-16/h3-5H,2,6-7,16H2,1H3
InChIKeyVTKFVWOIJGMQKA-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

2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid
CID 79522128
2-(aminomethyl)-N-benzyl-3-fluoro-N-propylaniline
CID 79517983
2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline
CID 79515822
2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55010759
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 113295424
2-amino-6-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzoic acid
CID 83207181
2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008972
4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63087010
2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 79515809
2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline
CID 79517972
2-(2-aminoethyl)-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 114861049

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline (CID 79516687) is 2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline is CCN(CC(F)(F)F)c1cccc(F)c1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is VTKFVWOIJGMQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2/c1-2-17(7-11(13,14)15)10-5-3-4-9(12)8(10)6-16/h3-5H,2,6-7,16H2,1H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline?
2-(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 2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 79516687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).