2,3,4,5-tetrahydro-1-benzofuran-4-amine

C8H11NO — CID 143836697

IUPAC2,3,4,5-tetrahydro-1-benzofuran-4-amine
SMILESNC1CC=CC2=C1CCO2
InChIInChI=1S/C8H11NO/c9-7-2-1-3-8-6(7)4-5-10-8/h1,3,7H,2,4-5,9H2
InChIKeyTWVGYWZSXBIMSO-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.95
Rot. Bonds

About 2,3,4,5-tetrahydro-1-benzofuran-4-amine

2,3,4,5-tetrahydro-1-benzofuran-4-amine (PubChem CID 143836697) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1-benzofuran-4-amine
PubChem CID143836697
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2,3,4,5-tetrahydro-1-benzofuran-4-amine
SMILESNC1CC=CC2=C1CCO2
InChIInChI=1S/C8H11NO/c9-7-2-1-3-8-6(7)4-5-10-8/h1,3,7H,2,4-5,9H2
InChIKeyTWVGYWZSXBIMSO-UHFFFAOYSA-N
XLogP0.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5,6,7-Tetrahydrocyclopenta[c]pyran-6-amine
CID 21618790
2-(2,3,4,5-Tetrahydro-1-benzofuran-2-yl)ethanamine
CID 57288704
4-Cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine
CID 70974500
2-Butyl-5,6-dihydro-1-benzofuran-5-amine
CID 123816047
2,3,4,5-Tetrahydro-1-benzofuran-3-amine
CID 129116475
(3aE,9E,11E)-2,3,5,6,7,8-hexahydrocyclodeca[b]furan-7-amine
CID 141822647
2-(2,3,4,5-Tetrahydrocyclohepta[b]pyran-7-yl)ethanamine
CID 143110129
4-(2,3-Dihydronaphthalen-2-yloxy)cyclohex-3-en-1-amine
CID 143703479
Chromium;2-oxabicyclo[5.5.0]dodeca-1(7),8,10,11-tetraen-6-amine
CID 144210567
2-Methyl-2,3,4,5-tetrahydro-1-benzofuran-4-amine
CID 146429901
(7aR)-2,3,7,7a-tetrahydro-1-benzofuran-2-amine
CID 155402728
2-(2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine
CID 175767494

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of 2,3,4,5-tetrahydro-1-benzofuran-4-amine (CID 143836697) is 2,3,4,5-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for 2,3,4,5-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for 2,3,4,5-tetrahydro-1-benzofuran-4-amine is NC1CC=CC2=C1CCO2.
What is the InChIKey of 2,3,4,5-tetrahydro-1-benzofuran-4-amine?
The InChIKey is TWVGYWZSXBIMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c9-7-2-1-3-8-6(7)4-5-10-8/h1,3,7H,2,4-5,9H2.
What are the key properties of 2,3,4,5-tetrahydro-1-benzofuran-4-amine?
2,3,4,5-tetrahydro-1-benzofuran-4-amine has a molecular weight of 137.18 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 143836697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).