(3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine

C9H10ClNO2 — CID 130625417

IUPAC(3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCOc1cc(Cl)c2c(c1)OC[C@H]2N
InChIInChI=1S/C9H10ClNO2/c1-12-5-2-6(10)9-7(11)4-13-8(9)3-5/h2-3,7H,4,11H2,1H3/t7-/m1/s1
InChIKeyITKUCNRESGGLFL-SSDOTTSWSA-N
MW199.64 g/mol
LogP1.74
Rot. Bonds1

About (3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine

(3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 130625417) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is (3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
PubChem CID130625417
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name(3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCOc1cc(Cl)c2c(c1)OC[C@H]2N
InChIInChI=1S/C9H10ClNO2/c1-12-5-2-6(10)9-7(11)4-13-8(9)3-5/h2-3,7H,4,11H2,1H3/t7-/m1/s1
InChIKeyITKUCNRESGGLFL-SSDOTTSWSA-N
XLogP1.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 131002588
5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 55269219
(4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252301
6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130054134
(5S)-6,8-dimethoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79014321
2,4,6,8-tetramethoxy-5-(2,4,6-trimethoxyphenyl)-5H-benzo[d][1,3]benzodioxocine
CID 70993959
3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one
CID 91622426
6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine
CID 55294789
4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119057116
(3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol
CID 130665432
(3S)-4-bromo-6-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 130741516
N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 43589787

Frequently Asked Questions

What is the IUPAC name of (3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine (CID 130625417) is (3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine is COc1cc(Cl)c2c(c1)OC[C@H]2N.
What is the InChIKey of (3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is ITKUCNRESGGLFL-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-12-5-2-6(10)9-7(11)4-13-8(9)3-5/h2-3,7H,4,11H2,1H3/t7-/m1/s1.
What are the key properties of (3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine?
(3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 199.64 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-chloro-6-methoxy-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 130625417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).