1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexan-1-amine

C16H23NO2 — CID 117408360

IUPAC1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexan-1-amine
SMILESCCc1cc2c(cc1C1(N)CCCCC1)OCCO2
InChIInChI=1S/C16H23NO2/c1-2-12-10-14-15(19-9-8-18-14)11-13(12)16(17)6-4-3-5-7-16/h10-11H,2-9,17H2,1H3
InChIKeyADBKAIHMHKZPBN-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.14
Rot. Bonds2

About 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexan-1-amine

1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexan-1-amine (PubChem CID 117408360) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexan-1-amine
PubChem CID117408360
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexan-1-amine
SMILESCCc1cc2c(cc1C1(N)CCCCC1)OCCO2
InChIInChI=1S/C16H23NO2/c1-2-12-10-14-15(19-9-8-18-14)11-13(12)16(17)6-4-3-5-7-16/h10-11H,2-9,17H2,1H3
InChIKeyADBKAIHMHKZPBN-UHFFFAOYSA-N
XLogP3.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexan-1-amine?
The IUPAC name of 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexan-1-amine (CID 117408360) is 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexan-1-amine is CCc1cc2c(cc1C1(N)CCCCC1)OCCO2.
What is the InChIKey of 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexan-1-amine?
The InChIKey is ADBKAIHMHKZPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-12-10-14-15(19-9-8-18-14)11-13(12)16(17)6-4-3-5-7-16/h10-11H,2-9,17H2,1H3.
What are the key properties of 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexan-1-amine?
1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexan-1-amine is sourced from PubChem (CID 117408360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).