2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline

C12H16F4N2 — CID 55010761

IUPAC2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1ccc(F)cc1C(C)N
InChIInChI=1S/C12H16F4N2/c1-3-18(7-12(14,15)16)11-5-4-9(13)6-10(11)8(2)17/h4-6,8H,3,7,17H2,1-2H3
InChIKeyDCXINYDNDJTULU-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.23
Rot. Bonds4

About 2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline

2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 55010761) has the molecular formula C12H16F4N2 and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline
PubChem CID55010761
Molecular FormulaC12H16F4N2
Molecular Weight264.27 g/mol
Exact Mass264.12
IUPAC Name2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1ccc(F)cc1C(C)N
InChIInChI=1S/C12H16F4N2/c1-3-18(7-12(14,15)16)11-5-4-9(13)6-10(11)8(2)17/h4-6,8H,3,7,17H2,1-2H3
InChIKeyDCXINYDNDJTULU-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55010759
2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-ethylbutyl)-4-fluoroaniline
CID 63368605
2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline
CID 78934827
2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline
CID 28983277
1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386723
2-[(1S)-1-aminoethyl]-4-fluoro-N,N-bis(3-methylbutyl)aniline
CID 107870073
2-[(1R)-1-aminoethyl]-4-fluoro-N,N-bis(3-methylbutyl)aniline
CID 107870060
N'-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63368901
4-(1-aminoethyl)-2-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 62911180
2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
CID 43188896
2-N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189397
2-[2-(1-aminoethyl)-4-bromo-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107480596

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline (CID 55010761) is 2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline is CCN(CC(F)(F)F)c1ccc(F)cc1C(C)N.
What is the InChIKey of 2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is DCXINYDNDJTULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2/c1-3-18(7-12(14,15)16)11-5-4-9(13)6-10(11)8(2)17/h4-6,8H,3,7,17H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline?
2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 264.27 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 55010761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).