N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine

C15H21NO — CID 79857768

IUPACN-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCC1(C)CCCC1NC1COc2ccccc21
InChIInChI=1S/C15H21NO/c1-15(2)9-5-8-14(15)16-12-10-17-13-7-4-3-6-11(12)13/h3-4,6-7,12,14,16H,5,8-10H2,1-2H3
InChIKeyMNJFAYVOUBXFKK-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.29
Rot. Bonds2

About N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine

N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 79857768) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID79857768
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCC1(C)CCCC1NC1COc2ccccc21
InChIInChI=1S/C15H21NO/c1-15(2)9-5-8-14(15)16-12-10-17-13-7-4-3-6-11(12)13/h3-4,6-7,12,14,16H,5,8-10H2,1-2H3
InChIKeyMNJFAYVOUBXFKK-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine (CID 79857768) is N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine is CC1(C)CCCC1NC1COc2ccccc21.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is MNJFAYVOUBXFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2)9-5-8-14(15)16-12-10-17-13-7-4-3-6-11(12)13/h3-4,6-7,12,14,16H,5,8-10H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine?
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 231.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 79857768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).