3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylcyclopentan-1-amine

C15H21NO — CID 116538878

IUPAC3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylcyclopentan-1-amine
SMILESCC1(CC2Cc3ccccc3O2)CCC(N)C1
InChIInChI=1S/C15H21NO/c1-15(7-6-12(16)9-15)10-13-8-11-4-2-3-5-14(11)17-13/h2-5,12-13H,6-10,16H2,1H3
InChIKeyOFZOCRBBXSOWEI-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.90
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylcyclopentan-1-amine

3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylcyclopentan-1-amine (PubChem CID 116538878) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylcyclopentan-1-amine
PubChem CID116538878
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylcyclopentan-1-amine
SMILESCC1(CC2Cc3ccccc3O2)CCC(N)C1
InChIInChI=1S/C15H21NO/c1-15(7-6-12(16)9-15)10-13-8-11-4-2-3-5-14(11)17-13/h2-5,12-13H,6-10,16H2,1H3
InChIKeyOFZOCRBBXSOWEI-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylcyclopentan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylcyclopentan-1-amine (CID 116538878) is 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylcyclopentan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylcyclopentan-1-amine is CC1(CC2Cc3ccccc3O2)CCC(N)C1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylcyclopentan-1-amine?
The InChIKey is OFZOCRBBXSOWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(7-6-12(16)9-15)10-13-8-11-4-2-3-5-14(11)17-13/h2-5,12-13H,6-10,16H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylcyclopentan-1-amine?
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylcyclopentan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.90, 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-2-ylmethyl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 116538878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).