1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine

C17H25NO2 — CID 43769170

IUPAC1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine
SMILESCC(NCC1COc2ccccc2O1)C1CCCCC1
InChIInChI=1S/C17H25NO2/c1-13(14-7-3-2-4-8-14)18-11-15-12-19-16-9-5-6-10-17(16)20-15/h5-6,9-10,13-15,18H,2-4,7-8,11-12H2,1H3
InChIKeyDMKSJJPPTLWMAK-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.38
Rot. Bonds4

About 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine

1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine (PubChem CID 43769170) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine
PubChem CID43769170
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine
SMILESCC(NCC1COc2ccccc2O1)C1CCCCC1
InChIInChI=1S/C17H25NO2/c1-13(14-7-3-2-4-8-14)18-11-15-12-19-16-9-5-6-10-17(16)20-15/h5-6,9-10,13-15,18H,2-4,7-8,11-12H2,1H3
InChIKeyDMKSJJPPTLWMAK-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81395215
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 113405291
(2R)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-methylheptan-2-amine
CID 125480047
4-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]phenol
CID 43204652
1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea
CID 5057406
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60683085
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine
CID 43130020
1-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propane-1,2-diamine
CID 83960709
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79227058
(1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 81385411
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclohexylethanamine
CID 66391635
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N'-propan-2-yloxamide
CID 34566020

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine?
The IUPAC name of 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine (CID 43769170) is 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine is CC(NCC1COc2ccccc2O1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine?
The InChIKey is DMKSJJPPTLWMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(14-7-3-2-4-8-14)18-11-15-12-19-16-9-5-6-10-17(16)20-15/h5-6,9-10,13-15,18H,2-4,7-8,11-12H2,1H3.
What are the key properties of 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine?
1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine has a molecular weight of 275.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine is sourced from PubChem (CID 43769170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).