3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine

C17H25NO — CID 65443042

IUPAC3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine
SMILESNC1CCCCC(CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C17H25NO/c18-16-4-2-1-3-13(12-16)5-6-14-7-8-17-15(11-14)9-10-19-17/h7-8,11,13,16H,1-6,9-10,12,18H2
InChIKeyJDUGFFQIIUFVJW-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.46
Rot. Bonds3

About 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine (PubChem CID 65443042) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine
PubChem CID65443042
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine
SMILESNC1CCCCC(CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C17H25NO/c18-16-4-2-1-3-13(12-16)5-6-14-7-8-17-15(11-14)9-10-19-17/h7-8,11,13,16H,1-6,9-10,12,18H2
InChIKeyJDUGFFQIIUFVJW-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine 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

5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran
CID 65443648
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine
CID 65441666
3-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclobutan-1-amine
CID 115214309
4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine
CID 116925700
1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 114974294
N-[[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 81028517
3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine
CID 65446309
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclobutane-1-carboxylic acid
CID 81008337
1-(4-aminocyclohexyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 116557379
1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide
CID 119147599
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcyclohexan-1-one
CID 79417676
[1-cyclopropyl-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
CID 105202382

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine?
The IUPAC name of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine (CID 65443042) is 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine.
What is the SMILES notation for 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine?
The canonical SMILES for 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine is NC1CCCCC(CCc2ccc3c(c2)CCO3)C1.
What is the InChIKey of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine?
The InChIKey is JDUGFFQIIUFVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-16-4-2-1-3-13(12-16)5-6-14-7-8-17-15(11-14)9-10-19-17/h7-8,11,13,16H,1-6,9-10,12,18H2.
What are the key properties of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine?
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine is sourced from PubChem (CID 65443042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).