3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol

C15H15F3N2O — CID 107733662

IUPAC3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol
SMILESCN(c1cccc(O)c1)c1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C15H15F3N2O/c1-20(12-3-2-4-13(21)8-12)14-6-5-11(15(16,17)18)7-10(14)9-19/h2-8,21H,9,19H2,1H3
InChIKeyRYJAVQKCSQFION-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.64
Rot. Bonds3

About 3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol

3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol (PubChem CID 107733662) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol.

Molecular Properties

Compound Name3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol
PubChem CID107733662
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol
SMILESCN(c1cccc(O)c1)c1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C15H15F3N2O/c1-20(12-3-2-4-13(21)8-12)14-6-5-11(15(16,17)18)7-10(14)9-19/h2-8,21H,9,19H2,1H3
InChIKeyRYJAVQKCSQFION-UHFFFAOYSA-N
XLogP3.64
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol?
The IUPAC name of 3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol (CID 107733662) is 3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol.
What is the SMILES notation for 3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol?
The canonical SMILES for 3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol is CN(c1cccc(O)c1)c1ccc(C(F)(F)F)cc1CN.
What is the InChIKey of 3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol?
The InChIKey is RYJAVQKCSQFION-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-20(12-3-2-4-13(21)8-12)14-6-5-11(15(16,17)18)7-10(14)9-19/h2-8,21H,9,19H2,1H3.
What are the key properties of 3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol?
3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol has a molecular weight of 296.29 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol is sourced from PubChem (CID 107733662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).