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

C18H29NO — CID 65450080

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H29NO/c1-3-4-5-6-7-8-9-17(19-2)15-10-11-18-16(14-15)12-13-20-18/h10-11,14,17,19H,3-9,12-13H2,1-2H3
InChIKeyQZUFBSSHDWFCLN-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.63
Rot. Bonds9

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

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine (PubChem CID 65450080) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
PubChem CID65450080
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H29NO/c1-3-4-5-6-7-8-9-17(19-2)15-10-11-18-16(14-15)12-13-20-18/h10-11,14,17,19H,3-9,12-13H2,1-2H3
InChIKeyQZUFBSSHDWFCLN-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)decylhydrazine
CID 105293354
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine
CID 114752389
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine
CID 43483285
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylnonan-1-amine
CID 65447633
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine
CID 63503929
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105180217
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 104542785
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 43482553
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine
CID 61026967
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-6-methylheptan-2-amine
CID 43769265

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine (CID 65450080) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine is CCCCCCCCC(NC)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine?
The InChIKey is QZUFBSSHDWFCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-4-5-6-7-8-9-17(19-2)15-10-11-18-16(14-15)12-13-20-18/h10-11,14,17,19H,3-9,12-13H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.63, 9 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)-N-methylnonan-1-amine is sourced from PubChem (CID 65450080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).