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

C15H23NO — CID 65446268

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
SMILESCC(C)CC(N)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NO/c1-11(2)9-14(16)5-3-12-4-6-15-13(10-12)7-8-17-15/h4,6,10-11,14H,3,5,7-9,16H2,1-2H3
InChIKeyQAKHEBRZZGFXAA-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.93
Rot. Bonds5

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

1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine (PubChem CID 65446268) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
PubChem CID65446268
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
SMILESCC(C)CC(N)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NO/c1-11(2)9-14(16)5-3-12-4-6-15-13(10-12)7-8-17-15/h4,6,10-11,14H,3,5,7-9,16H2,1-2H3
InChIKeyQAKHEBRZZGFXAA-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine
CID 65446280
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-6-methylheptan-3-one
CID 116553577
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentan-1-amine
CID 65300933
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-amine
CID 65444965
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine
CID 65447030
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490999
4-amino-1-(2,3-dihydro-1-benzofuran-5-yl)pentan-3-one
CID 116551761
1-(3,5-dibromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 107975539
6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
CID 116571723
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonyl]butan-2-amine
CID 81195482
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylcyclohexyl)propan-1-amine
CID 65445707
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-4-methylsulfonylpentan-3-amine
CID 115864525

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine (CID 65446268) is 1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine is CC(C)CC(N)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine?
The InChIKey is QAKHEBRZZGFXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)9-14(16)5-3-12-4-6-15-13(10-12)7-8-17-15/h4,6,10-11,14H,3,5,7-9,16H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine has a molecular weight of 233.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine is sourced from PubChem (CID 65446268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).