(2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol

C10H13F3N2O — CID 92979789

IUPAC(2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol
SMILESC[C@@H](O)CNc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-6(16)5-15-9-3-2-7(14)4-8(9)10(11,12)13/h2-4,6,15-16H,5,14H2,1H3/t6-/m1/s1
InChIKeyVJYXTWWXBGIBJT-ZCFIWIBFSA-N
MW234.22 g/mol
LogP2.08
Rot. Bonds3

About (2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol

(2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol (PubChem CID 92979789) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is (2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol
PubChem CID92979789
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name(2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol
SMILESC[C@@H](O)CNc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-6(16)5-15-9-3-2-7(14)4-8(9)10(11,12)13/h2-4,6,15-16H,5,14H2,1H3/t6-/m1/s1
InChIKeyVJYXTWWXBGIBJT-ZCFIWIBFSA-N
XLogP2.08
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol
CID 106284327
3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
CID 114152829
methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate
CID 54935472
1-N-[3-(dimethylamino)propyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935518
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
3-[4-amino-2-(trifluoromethyl)anilino]-2-methylsulfanylbutan-1-ol
CID 106155075
1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935380
1-N-(2-methyl-2-methylsulfanylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 113478588
N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide
CID 54935805
1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 60925358
6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol
CID 107843932
1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 14793681

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol?
The IUPAC name of (2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol (CID 92979789) is (2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol?
The canonical SMILES for (2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol is C[C@@H](O)CNc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of (2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol?
The InChIKey is VJYXTWWXBGIBJT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-6(16)5-15-9-3-2-7(14)4-8(9)10(11,12)13/h2-4,6,15-16H,5,14H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol?
(2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol has a molecular weight of 234.22 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol is sourced from PubChem (CID 92979789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).