(1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine

C14H16F3N3 — CID 61316673

IUPAC(1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCCCn1ccnc1C(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3/c1-2-7-20-8-6-19-13(20)12(18)10-4-3-5-11(9-10)14(15,16)17/h3-6,8-9,12H,2,7,18H2,1H3
InChIKeyLAHGILSJWADQSK-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.36
Rot. Bonds4

About (1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine

(1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 61316673) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is (1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID61316673
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name(1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCCCn1ccnc1C(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3/c1-2-7-20-8-6-19-13(20)12(18)10-4-3-5-11(9-10)14(15,16)17/h3-6,8-9,12H,2,7,18H2,1H3
InChIKeyLAHGILSJWADQSK-UHFFFAOYSA-N
XLogP3.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine (CID 61316673) is (1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine is CCCn1ccnc1C(N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is LAHGILSJWADQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-2-7-20-8-6-19-13(20)12(18)10-4-3-5-11(9-10)14(15,16)17/h3-6,8-9,12H,2,7,18H2,1H3.
What are the key properties of (1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine?
(1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 283.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 61316673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).