3-(2,3-dihydro-1H-inden-5-yl)-N-methylcyclobutan-1-amine;2,2,2-trifluoroacetic acid

C16H20F3NO2 — CID 175825361

IUPAC3-(2,3-dihydro-1H-inden-5-yl)-N-methylcyclobutan-1-amine;2,2,2-trifluoroacetic acid
SMILESCNC1CC(c2ccc3c(c2)CCC3)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H19N.C2HF3O2/c1-15-14-8-13(9-14)12-6-5-10-3-2-4-11(10)7-12;3-2(4,5)1(6)7/h5-7,13-15H,2-4,8-9H2,1H3;(H,6,7)
InChIKeyVUTLCHNCABLPQP-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.27
Rot. Bonds2

About 3-(2,3-dihydro-1H-inden-5-yl)-N-methylcyclobutan-1-amine;2,2,2-trifluoroacetic acid

3-(2,3-dihydro-1H-inden-5-yl)-N-methylcyclobutan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 175825361) has the molecular formula C16H20F3NO2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)-N-methylcyclobutan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)-N-methylcyclobutan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID175825361
Molecular FormulaC16H20F3NO2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)-N-methylcyclobutan-1-amine;2,2,2-trifluoroacetic acid
SMILESCNC1CC(c2ccc3c(c2)CCC3)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H19N.C2HF3O2/c1-15-14-8-13(9-14)12-6-5-10-3-2-4-11(10)7-12;3-2(4,5)1(6)7/h5-7,13-15H,2-4,8-9H2,1H3;(H,6,7)
InChIKeyVUTLCHNCABLPQP-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2,3-dihydro-1H-inden-5-yl)-N-methylcyclobutan-1-amine;2,2,2-trifluoroacetic acid 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 3-(2,3-dihydro-1H-inden-5-yl)-N-methylcyclobutan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-N-methylcyclobutan-1-amine;2,2,2-trifluoroacetic acid (CID 175825361) is 3-(2,3-dihydro-1H-inden-5-yl)-N-methylcyclobutan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)-N-methylcyclobutan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)-N-methylcyclobutan-1-amine;2,2,2-trifluoroacetic acid is CNC1CC(c2ccc3c(c2)CCC3)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)-N-methylcyclobutan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is VUTLCHNCABLPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.C2HF3O2/c1-15-14-8-13(9-14)12-6-5-10-3-2-4-11(10)7-12;3-2(4,5)1(6)7/h5-7,13-15H,2-4,8-9H2,1H3;(H,6,7).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)-N-methylcyclobutan-1-amine;2,2,2-trifluoroacetic acid?
3-(2,3-dihydro-1H-inden-5-yl)-N-methylcyclobutan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 315.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)-N-methylcyclobutan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175825361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).