(3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine

C11H15NO2 — CID 131146644

IUPAC(3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)Oc1ccc2c(c1)[C@H](N)CO2
InChIInChI=1S/C11H15NO2/c1-7(2)14-8-3-4-11-9(5-8)10(12)6-13-11/h3-5,7,10H,6,12H2,1-2H3/t10-/m1/s1
InChIKeyYSVQAQYPSQKPOX-SNVBAGLBSA-N
MW193.25 g/mol
LogP1.87
Rot. Bonds2

About (3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine

(3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 131146644) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
PubChem CID131146644
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)Oc1ccc2c(c1)[C@H](N)CO2
InChIInChI=1S/C11H15NO2/c1-7(2)14-8-3-4-11-9(5-8)10(12)6-13-11/h3-5,7,10H,6,12H2,1-2H3/t10-/m1/s1
InChIKeyYSVQAQYPSQKPOX-SNVBAGLBSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-phenoxy-2,3-dihydro-1-benzofuran-3-amine
CID 93092131
6-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096962
6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63097077
N-methyl-6-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
CID 63096218
5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 55269219
2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide
CID 63097258
6-propan-2-yloxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 58164198
2,3-dihydrobenzo[f][1]benzofuran-3-amine
CID 55272031
(3S)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
CID 131145304
2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2-methoxyethyl)propanamide
CID 63094789
O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117202333
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43153234

Frequently Asked Questions

What is the IUPAC name of (3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine (CID 131146644) is (3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine is CC(C)Oc1ccc2c(c1)[C@H](N)CO2.
What is the InChIKey of (3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is YSVQAQYPSQKPOX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7(2)14-8-3-4-11-9(5-8)10(12)6-13-11/h3-5,7,10H,6,12H2,1-2H3/t10-/m1/s1.
What are the key properties of (3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine?
(3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 193.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 131146644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).