3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine

C12H17NO — CID 114746889

IUPAC3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine
SMILESCNCCCc1cccc2c1OCC2
InChIInChI=1S/C12H17NO/c1-13-8-3-6-10-4-2-5-11-7-9-14-12(10)11/h2,4-5,13H,3,6-9H2,1H3
InChIKeyYNENXKQKFKQTDN-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.77
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine

3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine (PubChem CID 114746889) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine
PubChem CID114746889
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine
SMILESCNCCCc1cccc2c1OCC2
InChIInChI=1S/C12H17NO/c1-13-8-3-6-10-4-2-5-11-7-9-14-12(10)11/h2,4-5,13H,3,6-9H2,1H3
InChIKeyYNENXKQKFKQTDN-UHFFFAOYSA-N
XLogP1.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.77
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

3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine
CID 170866001
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
CID 114746763
3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine
CID 114746898
(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine
CID 131577312
7-(2-isocyanoethyl)-2,3-dihydro-1-benzofuran
CID 83481550
7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran
CID 114747068
7-(3-chloro-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran
CID 114747050
N-[2,3-dihydro-1-benzofuran-7-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 114745895
1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine
CID 114746942
3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal
CID 114746856
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide
CID 83878008

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine (CID 114746889) is 3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine is CNCCCc1cccc2c1OCC2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine?
The InChIKey is YNENXKQKFKQTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-13-8-3-6-10-4-2-5-11-7-9-14-12(10)11/h2,4-5,13H,3,6-9H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine?
3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 114746889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).