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

C14H19NO — CID 82614612

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine
SMILESNC1(c2ccc3c(c2)CCO3)CCCCC1
InChIInChI=1S/C14H19NO/c15-14(7-2-1-3-8-14)12-4-5-13-11(10-12)6-9-16-13/h4-5,10H,1-3,6-9,15H2
InChIKeyZXJYAGYMEAKJRW-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.74
Rot. Bonds1

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

1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine (PubChem CID 82614612) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine
PubChem CID82614612
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine
SMILESNC1(c2ccc3c(c2)CCO3)CCCCC1
InChIInChI=1S/C14H19NO/c15-14(7-2-1-3-8-14)12-4-5-13-11(10-12)6-9-16-13/h4-5,10H,1-3,6-9,15H2
InChIKeyZXJYAGYMEAKJRW-UHFFFAOYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine (CID 82614612) is 1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine is NC1(c2ccc3c(c2)CCO3)CCCCC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine?
The InChIKey is ZXJYAGYMEAKJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-14(7-2-1-3-8-14)12-4-5-13-11(10-12)6-9-16-13/h4-5,10H,1-3,6-9,15H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.74, 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)cyclohexan-1-amine is sourced from PubChem (CID 82614612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).