[2-methyl-5-(trifluoromethyl)phenyl]methanamine

C9H10F3N — CID 11952293

IUPAC[2-methyl-5-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C9H10F3N/c1-6-2-3-8(9(10,11)12)4-7(6)5-13/h2-4H,5,13H2,1H3
InChIKeyHMXXLXYKISLYDT-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.47
Rot. Bonds1

About [2-methyl-5-(trifluoromethyl)phenyl]methanamine

[2-methyl-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 11952293) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is [2-methyl-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-methyl-5-(trifluoromethyl)phenyl]methanamine
PubChem CID11952293
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name[2-methyl-5-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C9H10F3N/c1-6-2-3-8(9(10,11)12)4-7(6)5-13/h2-4H,5,13H2,1H3
InChIKeyHMXXLXYKISLYDT-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-methyl-5-(trifluoromethyl)phenyl]methanamine (CID 11952293) is [2-methyl-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-methyl-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-methyl-5-(trifluoromethyl)phenyl]methanamine is Cc1ccc(C(F)(F)F)cc1CN.
What is the InChIKey of [2-methyl-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is HMXXLXYKISLYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-6-2-3-8(9(10,11)12)4-7(6)5-13/h2-4H,5,13H2,1H3.
What are the key properties of [2-methyl-5-(trifluoromethyl)phenyl]methanamine?
[2-methyl-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 189.18 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 11952293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).