(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol

C9H11NO2 — CID 130992672

IUPAC(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCc1cc(O)cc2c1OC[C@H]2N
InChIInChI=1S/C9H11NO2/c1-5-2-6(11)3-7-8(10)4-12-9(5)7/h2-3,8,11H,4,10H2,1H3/t8-/m1/s1
InChIKeyHOJKXTJCTSCBAQ-MRVPVSSYSA-N
MW165.19 g/mol
LogP1.09
Rot. Bonds

About (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol

(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 130992672) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID130992672
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCc1cc(O)cc2c1OC[C@H]2N
InChIInChI=1S/C9H11NO2/c1-5-2-6(11)3-7-8(10)4-12-9(5)7/h2-3,8,11H,4,10H2,1H3/t8-/m1/s1
InChIKeyHOJKXTJCTSCBAQ-MRVPVSSYSA-N
XLogP1.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-5-hydroxy-2,3-dihydro-1-benzofuran-7-carbonitrile
CID 130948807
5-chloro-7-methyl-2,3-dihydrofuro[2,3-c]pyridin-3-amine
CID 164740595
3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol
CID 86192290
(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 130738460
(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 42220750
(3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol
CID 67237409
5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512484
4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol
CID 55294990
6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55293947
3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol
CID 55292297
5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol
CID 84652316
(3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 55295344

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol (CID 130992672) is (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol is Cc1cc(O)cc2c1OC[C@H]2N.
What is the InChIKey of (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is HOJKXTJCTSCBAQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-5-2-6(11)3-7-8(10)4-12-9(5)7/h2-3,8,11H,4,10H2,1H3/t8-/m1/s1.
What are the key properties of (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol?
(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 165.19 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 130992672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).