4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine

C16H23NO2 — CID 62807246

IUPAC4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine
SMILESCC1(C)Cc2cccc(OC3CCC(N)CC3)c2O1
InChIInChI=1S/C16H23NO2/c1-16(2)10-11-4-3-5-14(15(11)19-16)18-13-8-6-12(17)7-9-13/h3-5,12-13H,6-10,17H2,1-2H3
InChIKeyGASYDKIIJVAUSK-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.05
Rot. Bonds2

About 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine

4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine (PubChem CID 62807246) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine
PubChem CID62807246
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine
SMILESCC1(C)Cc2cccc(OC3CCC(N)CC3)c2O1
InChIInChI=1S/C16H23NO2/c1-16(2)10-11-4-3-5-14(15(11)19-16)18-13-8-6-12(17)7-9-13/h3-5,12-13H,6-10,17H2,1-2H3
InChIKeyGASYDKIIJVAUSK-UHFFFAOYSA-N
XLogP3.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine?
The IUPAC name of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine (CID 62807246) is 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine is CC1(C)Cc2cccc(OC3CCC(N)CC3)c2O1.
What is the InChIKey of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine?
The InChIKey is GASYDKIIJVAUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2)10-11-4-3-5-14(15(11)19-16)18-13-8-6-12(17)7-9-13/h3-5,12-13H,6-10,17H2,1-2H3.
What are the key properties of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine?
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine has a molecular weight of 261.36 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 62807246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).