1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol

C11H15F3N2O — CID 70591029

IUPAC1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol
SMILESCN(CC(O)CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2O/c1-16(7-10(17)6-15)9-4-2-8(3-5-9)11(12,13)14/h2-5,10,17H,6-7,15H2,1H3
InChIKeyOMFCWXOTDQQLQA-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.46
Rot. Bonds4

About 1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol

1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol (PubChem CID 70591029) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol
PubChem CID70591029
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol
SMILESCN(CC(O)CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2O/c1-16(7-10(17)6-15)9-4-2-8(3-5-9)11(12,13)14/h2-5,10,17H,6-7,15H2,1H3
InChIKeyOMFCWXOTDQQLQA-UHFFFAOYSA-N
XLogP1.46
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol?
The IUPAC name of 1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol (CID 70591029) is 1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol?
The canonical SMILES for 1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol is CN(CC(O)CN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol?
The InChIKey is OMFCWXOTDQQLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-16(7-10(17)6-15)9-4-2-8(3-5-9)11(12,13)14/h2-5,10,17H,6-7,15H2,1H3.
What are the key properties of 1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol?
1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol has a molecular weight of 248.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol is sourced from PubChem (CID 70591029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).