3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine

C15H21NO — CID 114746981

IUPAC3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(c2cccc3c2OCC3)C1C
InChIInChI=1S/C15H21NO/c1-10-12(6-7-14(10)16-2)13-5-3-4-11-8-9-17-15(11)13/h3-5,10,12,14,16H,6-9H2,1-2H3
InChIKeyCLNLWVMADVBCEG-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.72
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine

3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine (PubChem CID 114746981) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine
PubChem CID114746981
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(c2cccc3c2OCC3)C1C
InChIInChI=1S/C15H21NO/c1-10-12(6-7-14(10)16-2)13-5-3-4-11-8-9-17-15(11)13/h3-5,10,12,14,16H,6-9H2,1-2H3
InChIKeyCLNLWVMADVBCEG-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3-bromo-2-methylcyclopentyl)-3,4-dihydro-2H-chromene
CID 114747092
3-(2-chlorophenyl)-N,2-dimethylcyclopentan-1-amine
CID 64908329
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 114747647
7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran
CID 114746748
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine
CID 114747650
3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 82602979
7-[2-(2-methylpropyl)cyclopropyl]-2,3-dihydro-1-benzofuran
CID 177208812
(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130680225
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine
CID 114747628
N,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 64908104
2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpiperidine
CID 114746819
3-(2,6-difluorophenyl)-N,2-dimethylcyclopentan-1-amine
CID 64908109

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine (CID 114746981) is 3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine is CNC1CCC(c2cccc3c2OCC3)C1C.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine?
The InChIKey is CLNLWVMADVBCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-12(6-7-14(10)16-2)13-5-3-4-11-8-9-17-15(11)13/h3-5,10,12,14,16H,6-9H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine?
3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114746981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).