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

C16H23NO — CID 114743920

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1(N)c1cccc2c1OCC2
InChIInChI=1S/C16H23NO/c1-15(2)9-3-4-10-16(15,17)13-7-5-6-12-8-11-18-14(12)13/h5-7H,3-4,8-11,17H2,1-2H3
InChIKeyCEIORECDGXJGLO-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.38
Rot. Bonds1

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

1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 114743920) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylcyclohexan-1-amine
PubChem CID114743920
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1(N)c1cccc2c1OCC2
InChIInChI=1S/C16H23NO/c1-15(2)9-3-4-10-16(15,17)13-7-5-6-12-8-11-18-14(12)13/h5-7H,3-4,8-11,17H2,1-2H3
InChIKeyCEIORECDGXJGLO-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.38
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-7-yl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylcyclohexan-1-amine (CID 114743920) is 1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1(N)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is CEIORECDGXJGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-15(2)9-3-4-10-16(15,17)13-7-5-6-12-8-11-18-14(12)13/h5-7H,3-4,8-11,17H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylcyclohexan-1-amine?
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.38, 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-7-yl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 114743920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).