2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethanamine

C11H15NO — CID 163576523

IUPAC2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethanamine
SMILESNCCC1=C2CCOC2=CC=CC1
InChIInChI=1S/C11H15NO/c12-7-5-9-3-1-2-4-11-10(9)6-8-13-11/h1-2,4H,3,5-8,12H2
InChIKeyNDSSOTLINMIDEY-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.90
Rot. Bonds2

About 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethanamine

2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethanamine (PubChem CID 163576523) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethanamine
PubChem CID163576523
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethanamine
SMILESNCCC1=C2CCOC2=CC=CC1
InChIInChI=1S/C11H15NO/c12-7-5-9-3-1-2-4-11-10(9)6-8-13-11/h1-2,4H,3,5-8,12H2
InChIKeyNDSSOTLINMIDEY-UHFFFAOYSA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethanamine 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-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethanamine?
The IUPAC name of 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethanamine (CID 163576523) is 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethanamine?
The canonical SMILES for 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethanamine is NCCC1=C2CCOC2=CC=CC1.
What is the InChIKey of 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethanamine?
The InChIKey is NDSSOTLINMIDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-7-5-9-3-1-2-4-11-10(9)6-8-13-11/h1-2,4H,3,5-8,12H2.
What are the key properties of 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethanamine?
2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethanamine has a molecular weight of 177.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydro-2H-cyclohepta[b]furan-4-yl)ethanamine is sourced from PubChem (CID 163576523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).