2-methyl-1-[4-(trifluoromethyl)isoquinolin-7-yl]propan-2-amine

C14H15F3N2 — CID 117424152

IUPAC2-methyl-1-[4-(trifluoromethyl)isoquinolin-7-yl]propan-2-amine
SMILESCC(C)(N)Cc1ccc2c(C(F)(F)F)cncc2c1
InChIInChI=1S/C14H15F3N2/c1-13(2,18)6-9-3-4-11-10(5-9)7-19-8-12(11)14(15,16)17/h3-5,7-8H,6,18H2,1-2H3
InChIKeyWHDMMSOVMWRZCN-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.53
Rot. Bonds2

About 2-methyl-1-[4-(trifluoromethyl)isoquinolin-7-yl]propan-2-amine

2-methyl-1-[4-(trifluoromethyl)isoquinolin-7-yl]propan-2-amine (PubChem CID 117424152) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-methyl-1-[4-(trifluoromethyl)isoquinolin-7-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[4-(trifluoromethyl)isoquinolin-7-yl]propan-2-amine
PubChem CID117424152
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name2-methyl-1-[4-(trifluoromethyl)isoquinolin-7-yl]propan-2-amine
SMILESCC(C)(N)Cc1ccc2c(C(F)(F)F)cncc2c1
InChIInChI=1S/C14H15F3N2/c1-13(2,18)6-9-3-4-11-10(5-9)7-19-8-12(11)14(15,16)17/h3-5,7-8H,6,18H2,1-2H3
InChIKeyWHDMMSOVMWRZCN-UHFFFAOYSA-N
XLogP3.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[4-(trifluoromethyl)isoquinolin-7-yl]propan-2-amine 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 2-methyl-1-[4-(trifluoromethyl)isoquinolin-7-yl]propan-2-amine?
The IUPAC name of 2-methyl-1-[4-(trifluoromethyl)isoquinolin-7-yl]propan-2-amine (CID 117424152) is 2-methyl-1-[4-(trifluoromethyl)isoquinolin-7-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[4-(trifluoromethyl)isoquinolin-7-yl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[4-(trifluoromethyl)isoquinolin-7-yl]propan-2-amine is CC(C)(N)Cc1ccc2c(C(F)(F)F)cncc2c1.
What is the InChIKey of 2-methyl-1-[4-(trifluoromethyl)isoquinolin-7-yl]propan-2-amine?
The InChIKey is WHDMMSOVMWRZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-13(2,18)6-9-3-4-11-10(5-9)7-19-8-12(11)14(15,16)17/h3-5,7-8H,6,18H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(trifluoromethyl)isoquinolin-7-yl]propan-2-amine?
2-methyl-1-[4-(trifluoromethyl)isoquinolin-7-yl]propan-2-amine has a molecular weight of 268.28 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(trifluoromethyl)isoquinolin-7-yl]propan-2-amine is sourced from PubChem (CID 117424152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).