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

C15H21NO — CID 104542199

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
SMILESNC1(c2ccc3c(c2)CCO3)CCCCCC1
InChIInChI=1S/C15H21NO/c16-15(8-3-1-2-4-9-15)13-5-6-14-12(11-13)7-10-17-14/h5-6,11H,1-4,7-10,16H2
InChIKeyLDBQTANCVZXHDE-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.13
Rot. Bonds1

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

1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine (PubChem CID 104542199) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
PubChem CID104542199
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
SMILESNC1(c2ccc3c(c2)CCO3)CCCCCC1
InChIInChI=1S/C15H21NO/c16-15(8-3-1-2-4-9-15)13-5-6-14-12(11-13)7-10-17-14/h5-6,11H,1-4,7-10,16H2
InChIKeyLDBQTANCVZXHDE-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117367919
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine
CID 117360955
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 82608645
1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine
CID 82608600
[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine
CID 116829665
1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine
CID 117342628
7-(1-aminocyclopentyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82484685
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]methanol
CID 105426415
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine
CID 116856338
1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide
CID 116844349
5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran
CID 116875895
1-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 104542080

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine (CID 104542199) is 1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine is NC1(c2ccc3c(c2)CCO3)CCCCCC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine?
The InChIKey is LDBQTANCVZXHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-15(8-3-1-2-4-9-15)13-5-6-14-12(11-13)7-10-17-14/h5-6,11H,1-4,7-10,16H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine is sourced from PubChem (CID 104542199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).