(3S)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine

C11H15NO2 — CID 131145304

IUPAC(3S)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)Oc1cccc2c1OC[C@H]2N
InChIInChI=1S/C11H15NO2/c1-7(2)14-10-5-3-4-8-9(12)6-13-11(8)10/h3-5,7,9H,6,12H2,1-2H3/t9-/m1/s1
InChIKeyMHFZWEYMSAAWSA-SECBINFHSA-N
MW193.25 g/mol
LogP1.87
Rot. Bonds2

About (3S)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine

(3S)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 131145304) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3S)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3S)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
PubChem CID131145304
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3S)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)Oc1cccc2c1OC[C@H]2N
InChIInChI=1S/C11H15NO2/c1-7(2)14-10-5-3-4-8-9(12)6-13-11(8)10/h3-5,7,9H,6,12H2,1-2H3/t9-/m1/s1
InChIKeyMHFZWEYMSAAWSA-SECBINFHSA-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

Analyze (3S)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-amino-2,3-dihydro-1-benzofuran-7-thiol
CID 55294351
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine
CID 40787213
(3R)-7-ethenyl-2,3-dihydro-1-benzofuran-3-amine
CID 130739093
7-phenyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511966
(3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
CID 131146644
1-cyclopropyl-2-propan-2-yloxybenzene
CID 121339492
(3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 55295344
(3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine
CID 130686465
7-nitro-2,3-dihydro-1-benzofuran-3-amine
CID 55294579
(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 130738460
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3,6-diamine
CID 55293145
(3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130739663

Frequently Asked Questions

What is the IUPAC name of (3S)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3S)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine (CID 131145304) is (3S)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3S)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3S)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine is CC(C)Oc1cccc2c1OC[C@H]2N.
What is the InChIKey of (3S)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is MHFZWEYMSAAWSA-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7(2)14-10-5-3-4-8-9(12)6-13-11(8)10/h3-5,7,9H,6,12H2,1-2H3/t9-/m1/s1.
What are the key properties of (3S)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine?
(3S)-7-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)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 131145304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).