4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline

C10H12ClF3N2 — CID 131256078

IUPAC4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline
SMILESCN(C)c1ccc([C@@H](N)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H12ClF3N2/c1-16(2)6-3-4-7(8(11)5-6)9(15)10(12,13)14/h3-5,9H,15H2,1-2H3/t9-/m1/s1
InChIKeyXHLKYTMFUCZPRO-SECBINFHSA-N
MW252.67 g/mol
LogP2.97
Rot. Bonds2

About 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline

4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline (PubChem CID 131256078) has the molecular formula C10H12ClF3N2 and a molecular weight of 252.67 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline
PubChem CID131256078
Molecular FormulaC10H12ClF3N2
Molecular Weight252.67 g/mol
Exact Mass252.06
IUPAC Name4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline
SMILESCN(C)c1ccc([C@@H](N)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H12ClF3N2/c1-16(2)6-3-4-7(8(11)5-6)9(15)10(12,13)14/h3-5,9H,15H2,1-2H3/t9-/m1/s1
InChIKeyXHLKYTMFUCZPRO-SECBINFHSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline 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]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171232237
(3S)-3-amino-3-[2-chloro-4-(dimethylamino)phenyl]-2,2-dimethylpropan-1-ol
CID 171243846
(1S)-1-(2-chloro-4-methylphenyl)-2,2,2-trifluoroethanamine
CID 66511493
4-[(1R)-1-amino-4,4,4-trifluorobutyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171212633
(3R)-3-amino-3-[2-chloro-4-(dimethylamino)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171250576
methyl (3R)-3-amino-3-[2-chloro-4-(dimethylamino)phenyl]-2,2-dimethylpropanoate;hydrochloride
CID 171250566
4-(1-amino-2,2,2-trifluoroethyl)-3-chlorophenol
CID 77128281
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 43561856
2-amino-2-[2-chloro-4-(dimethylamino)phenyl]ethanol
CID 130060474
4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171232241
3-chloro-N,N-dimethyl-4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]aniline
CID 171294528
(1S)-1-[2-chloro-4-(dimethylamino)phenyl]pentane-1,5-diamine
CID 171232219

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline?
The IUPAC name of 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline (CID 131256078) is 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline.
What is the SMILES notation for 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline?
The canonical SMILES for 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline is CN(C)c1ccc([C@@H](N)C(F)(F)F)c(Cl)c1.
What is the InChIKey of 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline?
The InChIKey is XHLKYTMFUCZPRO-SECBINFHSA-N. The full InChI is InChI=1S/C10H12ClF3N2/c1-16(2)6-3-4-7(8(11)5-6)9(15)10(12,13)14/h3-5,9H,15H2,1-2H3/t9-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline?
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline has a molecular weight of 252.67 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3-chloro-N,N-dimethylaniline is sourced from PubChem (CID 131256078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).