(3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine

C11H15NO2 — CID 130676187

IUPAC(3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCOc1cc2c(cc1C)OC[C@H]2N
InChIInChI=1S/C11H15NO2/c1-3-13-10-5-8-9(12)6-14-11(8)4-7(10)2/h4-5,9H,3,6,12H2,1-2H3/t9-/m1/s1
InChIKeyRVBUDSBQQGOLFW-SECBINFHSA-N
MW193.25 g/mol
LogP1.79
Rot. Bonds2

About (3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine

(3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 130676187) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID130676187
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCOc1cc2c(cc1C)OC[C@H]2N
InChIInChI=1S/C11H15NO2/c1-3-13-10-5-8-9(12)6-14-11(8)4-7(10)2/h4-5,9H,3,6,12H2,1-2H3/t9-/m1/s1
InChIKeyRVBUDSBQQGOLFW-SECBINFHSA-N
XLogP1.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 55269219
3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 55292013
6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine
CID 55294789
7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 130054307
6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130054134
(3R)-5-ethoxy-7-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130612649
ethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 170367856
(4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 130658442
2,3-dihydrobenzo[f][1]benzofuran-3-amine
CID 55272031
6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63096723
5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 43512181
3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one
CID 82603967

Frequently Asked Questions

What is the IUPAC name of (3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 130676187) is (3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine is CCOc1cc2c(cc1C)OC[C@H]2N.
What is the InChIKey of (3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is RVBUDSBQQGOLFW-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-13-10-5-8-9(12)6-14-11(8)4-7(10)2/h4-5,9H,3,6,12H2,1-2H3/t9-/m1/s1.
What are the key properties of (3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine?
(3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 193.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 130676187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).