(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol

C10H12F3NO — CID 129052960

IUPAC(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c1-6(15)9(14)7-3-2-4-8(5-7)10(11,12)13/h2-6,9,15H,14H2,1H3/t6-,9+/m0/s1
InChIKeyDNHPWHQVUVNMTD-IMTBSYHQSA-N
MW219.21 g/mol
LogP2.09
Rot. Bonds2

About (1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol

(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 129052960) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID129052960
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c1-6(15)9(14)7-3-2-4-8(5-7)10(11,12)13/h2-6,9,15H,14H2,1H3/t6-,9+/m0/s1
InChIKeyDNHPWHQVUVNMTD-IMTBSYHQSA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol 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

(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
1-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
CID 138108892
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 129373286
N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 171035691
(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171160389
(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131320049
2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine
CID 79298392
4-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 64718997
(1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol
CID 131463737
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171161777
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol (CID 129052960) is (1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol is C[C@H](O)[C@@H](N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is DNHPWHQVUVNMTD-IMTBSYHQSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6(15)9(14)7-3-2-4-8(5-7)10(11,12)13/h2-6,9,15H,14H2,1H3/t6-,9+/m0/s1.
What are the key properties of (1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 219.21 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 129052960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).