[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine

C10H11F3N2 — CID 178136681

IUPAC[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine
SMILESNCN1Cc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C10H11F3N2/c11-10(12,13)9-2-1-7-4-15(6-14)5-8(7)3-9/h1-3H,4-6,14H2
InChIKeyRRQOFWJVQLKHMU-UHFFFAOYSA-N
MW216.21 g/mol
LogP1.94
Rot. Bonds1

About [5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine

[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine (PubChem CID 178136681) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine
PubChem CID178136681
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine
SMILESNCN1Cc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C10H11F3N2/c11-10(12,13)9-2-1-7-4-15(6-14)5-8(7)3-9/h1-3H,4-6,14H2
InChIKeyRRQOFWJVQLKHMU-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanesulfinate
CID 174557399
5-hydroxy-2-[[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methyl]pyran-4-one
CID 135152079
6-[[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methyl]-4H-pyran-3-ol
CID 175844007
[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine
CID 115029003
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
CID 141472105
2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-amine
CID 43175747
2-methoxy-4-[3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]phenol
CID 137448565
5-methyl-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1,3-dihydroisoindole
CID 59726188
2-[2-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]benzoic acid
CID 167773817
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(trifluoromethyl)phenol
CID 117220761
2-(5-tert-butyl-1,3-dihydroisoindol-2-yl)acetonitrile
CID 82164159
5-methoxy-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pentane-1,4-dione
CID 156823113

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine?
The IUPAC name of [5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine (CID 178136681) is [5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine.
What is the SMILES notation for [5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine?
The canonical SMILES for [5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine is NCN1Cc2ccc(C(F)(F)F)cc2C1.
What is the InChIKey of [5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine?
The InChIKey is RRQOFWJVQLKHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c11-10(12,13)9-2-1-7-4-15(6-14)5-8(7)3-9/h1-3H,4-6,14H2.
What are the key properties of [5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine?
[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine has a molecular weight of 216.21 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine is sourced from PubChem (CID 178136681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).