N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine

C17H25NO2 — CID 43709254

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCc1cccc2c1OCCO2
InChIInChI=1S/C17H25NO2/c1-2-13-6-3-4-8-15(13)18-12-14-7-5-9-16-17(14)20-11-10-19-16/h5,7,9,13,15,18H,2-4,6,8,10-12H2,1H3
InChIKeyDYFUFGQCJUDIQU-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.52
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine (PubChem CID 43709254) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine
PubChem CID43709254
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCc1cccc2c1OCCO2
InChIInChI=1S/C17H25NO2/c1-2-13-6-3-4-8-15(13)18-12-14-7-5-9-16-17(14)20-11-10-19-16/h5,7,9,13,15,18H,2-4,6,8,10-12H2,1H3
InChIKeyDYFUFGQCJUDIQU-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol
CID 103700403
cyclopropyl-[(3S,4S)-4-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-3-ethylpiperidin-1-yl]methanone
CID 97026978
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethylcyclohexan-1-amine
CID 43434092
N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine
CID 43583510
2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)oxolan-3-amine
CID 103864396
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43583512
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
2-[(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)methyl]cyclohexan-1-ol
CID 64927276
4-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclohexane-1-carboxylic acid
CID 120509927
2-(1,3-benzodioxol-4-ylmethylamino)cyclohexane-1-carbonitrile
CID 62742606
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
4-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)cyclohexan-1-ol
CID 43583461

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine (CID 43709254) is N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine is CCC1CCCCC1NCc1cccc2c1OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine?
The InChIKey is DYFUFGQCJUDIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-13-6-3-4-8-15(13)18-12-14-7-5-9-16-17(14)20-11-10-19-16/h5,7,9,13,15,18H,2-4,6,8,10-12H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine?
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine is sourced from PubChem (CID 43709254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).