1-(2,3-dihydro-1-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine

C18H29NO2 — CID 116760880

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine
SMILESCCC(CC)(OC)C(CCc1ccc2c(c1)CCO2)NC
InChIInChI=1S/C18H29NO2/c1-5-18(6-2,20-4)17(19-3)10-8-14-7-9-16-15(13-14)11-12-21-16/h7,9,13,17,19H,5-6,8,10-12H2,1-4H3
InChIKeyVKXCKRCFEZQOGG-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.35
Rot. Bonds8

About 1-(2,3-dihydro-1-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine (PubChem CID 116760880) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine
PubChem CID116760880
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine
SMILESCCC(CC)(OC)C(CCc1ccc2c(c1)CCO2)NC
InChIInChI=1S/C18H29NO2/c1-5-18(6-2,20-4)17(19-3)10-8-14-7-9-16-15(13-14)11-12-21-16/h7,9,13,17,19H,5-6,8,10-12H2,1-4H3
InChIKeyVKXCKRCFEZQOGG-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxy-N-methylpentan-3-amine
CID 65445330
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65447213
1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine
CID 65445712
1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine
CID 115864502
1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N-methylbutan-2-amine
CID 116722245
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine
CID 65447030
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine
CID 65444946
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine
CID 105213803
7-(2,3-dihydro-1-benzofuran-5-yl)-N,2-dimethylheptan-3-amine
CID 65442850
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 65444972
4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol
CID 65446454

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine (CID 116760880) is 1-(2,3-dihydro-1-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine is CCC(CC)(OC)C(CCc1ccc2c(c1)CCO2)NC.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine?
The InChIKey is VKXCKRCFEZQOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-18(6-2,20-4)17(19-3)10-8-14-7-9-16-15(13-14)11-12-21-16/h7,9,13,17,19H,5-6,8,10-12H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine has a molecular weight of 291.44 g/mol, XLogP of 3.35, 8 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-benzofuran-5-yl)-4-ethyl-4-methoxy-N-methylhexan-3-amine is sourced from PubChem (CID 116760880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).