1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine

C18H27NO2 — CID 105155179

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2cccc3c2OCCO3)CC1
InChIInChI=1S/C18H27NO2/c1-3-13-7-9-14(10-8-13)17(19-2)15-5-4-6-16-18(15)21-12-11-20-16/h4-6,13-14,17,19H,3,7-12H2,1-2H3
InChIKeyKGTOHYVTKOWJGZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.93
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine (PubChem CID 105155179) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
PubChem CID105155179
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2cccc3c2OCCO3)CC1
InChIInChI=1S/C18H27NO2/c1-3-13-7-9-14(10-8-13)17(19-2)15-5-4-6-16-18(15)21-12-11-20-16/h4-6,13-14,17,19H,3,7-12H2,1-2H3
InChIKeyKGTOHYVTKOWJGZ-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65392706
1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 107102502
(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride
CID 171213604
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine
CID 107894239
1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65412191
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 64774200
1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104991067
1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 65411611
1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104990914
1-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylmethanamine
CID 105099430
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 82793249
cyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105079651

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine (CID 105155179) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine is CCC1CCC(C(NC)c2cccc3c2OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The InChIKey is KGTOHYVTKOWJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-13-7-9-14(10-8-13)17(19-2)15-5-4-6-16-18(15)21-12-11-20-16/h4-6,13-14,17,19H,3,7-12H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine has a molecular weight of 289.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 105155179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).