(3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine

C10H12INO — CID 130739663

IUPAC(3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine
SMILESCCc1c(I)ccc2c1OC[C@H]2N
InChIInChI=1S/C10H12INO/c1-2-6-8(11)4-3-7-9(12)5-13-10(6)7/h3-4,9H,2,5,12H2,1H3/t9-/m1/s1
InChIKeyKDQKIVWIUVISAT-SECBINFHSA-N
MW289.12 g/mol
LogP2.25
Rot. Bonds1

About (3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine

(3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 130739663) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is (3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine
PubChem CID130739663
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC Name(3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine
SMILESCCc1c(I)ccc2c1OC[C@H]2N
InChIInChI=1S/C10H12INO/c1-2-6-8(11)4-3-7-9(12)5-13-10(6)7/h3-4,9H,2,5,12H2,1H3/t9-/m1/s1
InChIKeyKDQKIVWIUVISAT-SECBINFHSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine
CID 130609322
(3R)-5-ethoxy-7-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130612649
(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 130738460
(3S)-3-amino-2,3-dihydro-1-benzofuran-7-thiol
CID 55294351
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine
CID 40787213
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3,6-diamine
CID 55293145
3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol
CID 55292297
(3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 55295344
7-methyl-2,3-dihydrofuro[2,3-c]pyridin-3-amine
CID 86721908
(3R)-7-ethenyl-2,3-dihydro-1-benzofuran-3-amine
CID 130739093
(3S)-7-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
CID 131145304
7-phenyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511966

Frequently Asked Questions

What is the IUPAC name of (3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine (CID 130739663) is (3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine is CCc1c(I)ccc2c1OC[C@H]2N.
What is the InChIKey of (3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is KDQKIVWIUVISAT-SECBINFHSA-N. The full InChI is InChI=1S/C10H12INO/c1-2-6-8(11)4-3-7-9(12)5-13-10(6)7/h3-4,9H,2,5,12H2,1H3/t9-/m1/s1.
What are the key properties of (3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine?
(3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 289.12 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-ethyl-6-iodo-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 130739663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).