6-iodo-3-methoxy-3,4-dihydro-2H-chromen-4-amine

C10H12INO2 — CID 130039876

IUPAC6-iodo-3-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOC1COc2ccc(I)cc2C1N
InChIInChI=1S/C10H12INO2/c1-13-9-5-14-8-3-2-6(11)4-7(8)10(9)12/h2-4,9-10H,5,12H2,1H3
InChIKeyZQINQXSYDPOJTA-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.70
Rot. Bonds1

About 6-iodo-3-methoxy-3,4-dihydro-2H-chromen-4-amine

6-iodo-3-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 130039876) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is 6-iodo-3-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-iodo-3-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID130039876
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Name6-iodo-3-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOC1COc2ccc(I)cc2C1N
InChIInChI=1S/C10H12INO2/c1-13-9-5-14-8-3-2-6(11)4-7(8)10(9)12/h2-4,9-10H,5,12H2,1H3
InChIKeyZQINQXSYDPOJTA-UHFFFAOYSA-N
XLogP1.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine
CID 130039862
6-iodo-4-methyl-3,4-dihydro-2H-chromene
CID 10612333
3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine
CID 104560707
(4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol
CID 58909283
(3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol
CID 71517079
6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188264
5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
CID 102492939
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
(3S)-5-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
CID 131146644
3-[[(3S,4R)-4-amino-3,4-dihydro-2H-chromen-3-yl]oxy]-2,2-dimethylpropanenitrile
CID 172508662
3-(4-propylphenoxy)-3,4-dihydro-2H-chromen-4-amine
CID 62550128
5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 43512181

Frequently Asked Questions

What is the IUPAC name of 6-iodo-3-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-iodo-3-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 130039876) is 6-iodo-3-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-iodo-3-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-iodo-3-methoxy-3,4-dihydro-2H-chromen-4-amine is COC1COc2ccc(I)cc2C1N.
What is the InChIKey of 6-iodo-3-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZQINQXSYDPOJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2/c1-13-9-5-14-8-3-2-6(11)4-7(8)10(9)12/h2-4,9-10H,5,12H2,1H3.
What are the key properties of 6-iodo-3-methoxy-3,4-dihydro-2H-chromen-4-amine?
6-iodo-3-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 305.12 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 130039876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).