4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline

C12H17F3N2 — CID 66511663

IUPAC4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc([C@H](N)C(F)(F)F)cc1
InChIInChI=1S/C12H17F3N2/c1-3-17(4-2)10-7-5-9(6-8-10)11(16)12(13,14)15/h5-8,11H,3-4,16H2,1-2H3/t11-/m0/s1
InChIKeyYFHYNBFPUKCSGA-NSHDSACASA-N
MW246.28 g/mol
LogP3.09
Rot. Bonds4

About 4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline

4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline (PubChem CID 66511663) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline
PubChem CID66511663
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc([C@H](N)C(F)(F)F)cc1
InChIInChI=1S/C12H17F3N2/c1-3-17(4-2)10-7-5-9(6-8-10)11(16)12(13,14)15/h5-8,11H,3-4,16H2,1-2H3/t11-/m0/s1
InChIKeyYFHYNBFPUKCSGA-NSHDSACASA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1S)-1-amino-3,3,3-trifluoropropyl]-N,N-diethylaniline;hydrochloride
CID 171227547
4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline
CID 171227521
4-(difluoromethyl)-N,N-diethylaniline
CID 154791327
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-[amino(phenyl)methyl]-N,N-diethylaniline
CID 154345063
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 56971822
4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline
CID 91741933
(1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride
CID 171207945
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline
CID 53403073
4-[(1S)-1-amino-3-methylbutyl]-N,N-diethylaniline;hydrochloride
CID 171227543
2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine
CID 63896619

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline?
The IUPAC name of 4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline (CID 66511663) is 4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline is CCN(CC)c1ccc([C@H](N)C(F)(F)F)cc1.
What is the InChIKey of 4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline?
The InChIKey is YFHYNBFPUKCSGA-NSHDSACASA-N. The full InChI is InChI=1S/C12H17F3N2/c1-3-17(4-2)10-7-5-9(6-8-10)11(16)12(13,14)15/h5-8,11H,3-4,16H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline?
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline has a molecular weight of 246.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline is sourced from PubChem (CID 66511663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).