(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol

C11H14F3NO — CID 106932273

IUPAC(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
SMILESCc1ccc(C(F)(F)F)cc1NC[C@H](C)O
InChIInChI=1S/C11H14F3NO/c1-7-3-4-9(11(12,13)14)5-10(7)15-6-8(2)16/h3-5,8,15-16H,6H2,1-2H3/t8-/m0/s1
InChIKeyDPAVHKXHPZISAF-QMMMGPOBSA-N
MW233.23 g/mol
LogP2.81
Rot. Bonds3

About (2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol

(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol (PubChem CID 106932273) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is (2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
PubChem CID106932273
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
SMILESCc1ccc(C(F)(F)F)cc1NC[C@H](C)O
InChIInChI=1S/C11H14F3NO/c1-7-3-4-9(11(12,13)14)5-10(7)15-6-8(2)16/h3-5,8,15-16H,6H2,1-2H3/t8-/m0/s1
InChIKeyDPAVHKXHPZISAF-QMMMGPOBSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline
CID 66481146
3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 66481346
2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline
CID 66478753
N-butan-2-yl-2-[2-methyl-5-(trifluoromethyl)anilino]acetamide
CID 66476966
2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline
CID 66479743
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline
CID 106437871
2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline
CID 66481332
2-methyl-N-oxido-5-(trifluoromethyl)aniline
CID 176656270
2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline
CID 116534878
3-[2-methyl-5-(trifluoromethyl)anilino]butanoic acid
CID 66480950

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol?
The IUPAC name of (2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol (CID 106932273) is (2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol.
What is the SMILES notation for (2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol?
The canonical SMILES for (2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol is Cc1ccc(C(F)(F)F)cc1NC[C@H](C)O.
What is the InChIKey of (2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol?
The InChIKey is DPAVHKXHPZISAF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7-3-4-9(11(12,13)14)5-10(7)15-6-8(2)16/h3-5,8,15-16H,6H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol?
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol has a molecular weight of 233.23 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol is sourced from PubChem (CID 106932273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).