4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine

C12H17NO — CID 117282588

IUPAC4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine
SMILESNCCCCc1cccc2c1CCO2
InChIInChI=1S/C12H17NO/c13-8-2-1-4-10-5-3-6-12-11(10)7-9-14-12/h3,5-6H,1-2,4,7-9,13H2
InChIKeyUVGDWSWWJQBSIC-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.90
Rot. Bonds4

About 4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine

4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine (PubChem CID 117282588) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine
PubChem CID117282588
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine
SMILESNCCCCc1cccc2c1CCO2
InChIInChI=1S/C12H17NO/c13-8-2-1-4-10-5-3-6-12-11(10)7-9-14-12/h3,5-6H,1-2,4,7-9,13H2
InChIKeyUVGDWSWWJQBSIC-UHFFFAOYSA-N
XLogP1.90
TPSA35.25 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 ≤ 51.90
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

4-(3,4-dihydro-1H-isochromen-5-yl)butan-1-amine
CID 117293860
(2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine
CID 130612679
4-(bromomethyl)-2,3-dihydro-1-benzofuran
CID 139534248
1-(2,3-dihydro-1-benzofuran-4-ylmethyl)cyclopropan-1-amine
CID 117281579
1-(2,3-dihydro-1-benzofuran-4-yl)-N,N-dimethylmethanamine
CID 141164132
4-prop-2-enyl-2,3-dihydro-1-benzofuran
CID 67079342
3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine
CID 19611649
3-(3,4-dihydro-2H-chromen-5-yl)propanamide
CID 19611662
2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 82374515
4-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]butan-1-amine
CID 117311328
[3-(2,3-dihydro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117309097
[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine
CID 18787377

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine (CID 117282588) is 4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine is NCCCCc1cccc2c1CCO2.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine?
The InChIKey is UVGDWSWWJQBSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-8-2-1-4-10-5-3-6-12-11(10)7-9-14-12/h3,5-6H,1-2,4,7-9,13H2.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine?
4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine is sourced from PubChem (CID 117282588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).