1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine

C18H29NO — CID 63020243

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)C(NCC)c1ccc2c(c1)COC2
InChIInChI=1S/C18H29NO/c1-4-7-8-14(5-2)18(19-6-3)15-9-10-16-12-20-13-17(16)11-15/h9-11,14,18-19H,4-8,12-13H2,1-3H3
InChIKeyAIHIQONCTKCWOA-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.58
Rot. Bonds8

About 1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine

1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine (PubChem CID 63020243) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine
PubChem CID63020243
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)C(NCC)c1ccc2c(c1)COC2
InChIInChI=1S/C18H29NO/c1-4-7-8-14(5-2)18(19-6-3)15-9-10-16-12-20-13-17(16)11-15/h9-11,14,18-19H,4-8,12-13H2,1-3H3
InChIKeyAIHIQONCTKCWOA-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine
CID 55145401
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine
CID 55145403
N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine
CID 79747386
1-(4-butylphenyl)-N,2-diethylhexan-1-amine
CID 63507624
1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine
CID 63020921
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63019719
1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine
CID 105022228
N,2-diethyl-1-quinolin-7-ylhexan-1-amine
CID 105021496
1-(1,3-dihydro-2-benzofuran-5-yl)propylhydrazine
CID 105281849
2-(aminomethyl)-1-(1,3-dihydro-2-benzofuran-5-yl)butan-1-ol
CID 65188279
N-[1,3-dihydro-2-benzofuran-5-yl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79212876
N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-3-yl)methyl]ethanamine
CID 63020064

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine (CID 63020243) is 1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine is CCCCC(CC)C(NCC)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine?
The InChIKey is AIHIQONCTKCWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-7-8-14(5-2)18(19-6-3)15-9-10-16-12-20-13-17(16)11-15/h9-11,14,18-19H,4-8,12-13H2,1-3H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine is sourced from PubChem (CID 63020243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).