2-(3a,7a-dihydro-1-benzofuran-6-yl)ethanamine

C10H13NO — CID 112711948

IUPAC2-(3a,7a-dihydro-1-benzofuran-6-yl)ethanamine
SMILESNCCC1=CC2OC=CC2C=C1
InChIInChI=1S/C10H13NO/c11-5-3-8-1-2-9-4-6-12-10(9)7-8/h1-2,4,6-7,9-10H,3,5,11H2
InChIKeyAFYVBLGOBFAOTE-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.36
Rot. Bonds2

About 2-(3a,7a-dihydro-1-benzofuran-6-yl)ethanamine

2-(3a,7a-dihydro-1-benzofuran-6-yl)ethanamine (PubChem CID 112711948) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(3a,7a-dihydro-1-benzofuran-6-yl)ethanamine.

Molecular Properties

Compound Name2-(3a,7a-dihydro-1-benzofuran-6-yl)ethanamine
PubChem CID112711948
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-(3a,7a-dihydro-1-benzofuran-6-yl)ethanamine
SMILESNCCC1=CC2OC=CC2C=C1
InChIInChI=1S/C10H13NO/c11-5-3-8-1-2-9-4-6-12-10(9)7-8/h1-2,4,6-7,9-10H,3,5,11H2
InChIKeyAFYVBLGOBFAOTE-UHFFFAOYSA-N
XLogP1.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Cyclopropoxy-6-fluorocyclohexa-2,4-dienyl)methanamine
CID 72232202
(5-Fluoro-2,3-dihydrocyclopenta[b]pyran-2-yl)methanamine
CID 156591896
2-(3a,7a-Dihydro-1-benzofuran-2-yl)ethanamine
CID 18413954
6-(aminomethyl)-6H-1-benzofuran-5-one
CID 21510179
2-(2H-pyran-4-yl)ethanamine
CID 54557534
3,5-dihydro-2H-1-benzofuran-5-id-2-ylmethanamine;yttrium
CID 59106161
[(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine
CID 89316193
2,3,6,7-Tetrahydro-1-benzofuran-6-ylmethanamine
CID 89418546
2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine
CID 89473311
(4-Methoxycyclohexa-2,4-dien-1-yl)methanamine
CID 89671964
3a,7a-Dihydro-1-benzofuran-4-amine
CID 112711832
[(1S)-4,6-dimethoxycyclohexa-2,4-dien-1-yl]methanamine
CID 117706863

Frequently Asked Questions

What is the IUPAC name of 2-(3a,7a-dihydro-1-benzofuran-6-yl)ethanamine?
The IUPAC name of 2-(3a,7a-dihydro-1-benzofuran-6-yl)ethanamine (CID 112711948) is 2-(3a,7a-dihydro-1-benzofuran-6-yl)ethanamine.
What is the SMILES notation for 2-(3a,7a-dihydro-1-benzofuran-6-yl)ethanamine?
The canonical SMILES for 2-(3a,7a-dihydro-1-benzofuran-6-yl)ethanamine is NCCC1=CC2OC=CC2C=C1.
What is the InChIKey of 2-(3a,7a-dihydro-1-benzofuran-6-yl)ethanamine?
The InChIKey is AFYVBLGOBFAOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c11-5-3-8-1-2-9-4-6-12-10(9)7-8/h1-2,4,6-7,9-10H,3,5,11H2.
What are the key properties of 2-(3a,7a-dihydro-1-benzofuran-6-yl)ethanamine?
2-(3a,7a-dihydro-1-benzofuran-6-yl)ethanamine has a molecular weight of 163.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3a,7a-dihydro-1-benzofuran-6-yl)ethanamine is sourced from PubChem (CID 112711948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).