1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine;ethane

C15H21NO — CID 142317216

IUPAC1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine;ethane
SMILESCC.CC(N)c1ccc2oc(C3CC3)cc2c1
InChIInChI=1S/C13H15NO.C2H6/c1-8(14)10-4-5-12-11(6-10)7-13(15-12)9-2-3-9;1-2/h4-9H,2-3,14H2,1H3;1-2H3
InChIKeyBXVZKDRKNFZFGI-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.36
Rot. Bonds2

About 1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine;ethane

1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine;ethane (PubChem CID 142317216) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine;ethane.

Molecular Properties

Compound Name1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine;ethane
PubChem CID142317216
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine;ethane
SMILESCC.CC(N)c1ccc2oc(C3CC3)cc2c1
InChIInChI=1S/C13H15NO.C2H6/c1-8(14)10-4-5-12-11(6-10)7-13(15-12)9-2-3-9;1-2/h4-9H,2-3,14H2,1H3;1-2H3
InChIKeyBXVZKDRKNFZFGI-UHFFFAOYSA-N
XLogP4.36
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine;ethane 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

1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine
CID 134393277
5-(1-azidoethyl)-2-cyclopropyl-1-benzofuran
CID 134393274
2-cyclopropyl-1-benzofuran
CID 12528043
4-(5-propan-2-yl-1-benzofuran-2-yl)pyrrolidin-2-one
CID 10681691
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride
CID 23312202
4-(5-methoxy-1-benzofuran-2-yl)piperidine;hydrochloride
CID 23312240
2,5-di(propan-2-yl)-1-benzofuran
CID 59835786
4-(5-phenoxy-1-benzofuran-2-yl)cyclohexane-1-carbaldehyde
CID 143467914
1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine
CID 146221659
1-naphthalen-2-ylethanamine
CID 3857145
1-(5-cyclohexylfuran-2-yl)ethanamine
CID 83830495

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine;ethane?
The IUPAC name of 1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine;ethane (CID 142317216) is 1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine;ethane.
What is the SMILES notation for 1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine;ethane?
The canonical SMILES for 1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine;ethane is CC.CC(N)c1ccc2oc(C3CC3)cc2c1.
What is the InChIKey of 1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine;ethane?
The InChIKey is BXVZKDRKNFZFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.C2H6/c1-8(14)10-4-5-12-11(6-10)7-13(15-12)9-2-3-9;1-2/h4-9H,2-3,14H2,1H3;1-2H3.
What are the key properties of 1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine;ethane?
1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine;ethane has a molecular weight of 231.34 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine;ethane is sourced from PubChem (CID 142317216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).