3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine

C14H14INOS — CID 79693199

IUPAC3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine
SMILESNC(c1csc(I)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H14INOS/c15-13-7-11(8-18-13)14(16)10-3-4-12-9(6-10)2-1-5-17-12/h3-4,6-8,14H,1-2,5,16H2
InChIKeyZUTLJWZTBGMYOK-UHFFFAOYSA-N
MW371.24 g/mol
LogP3.73
Rot. Bonds2

About 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine

3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine (PubChem CID 79693199) has the molecular formula C14H14INOS and a molecular weight of 371.24 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine
PubChem CID79693199
Molecular FormulaC14H14INOS
Molecular Weight371.24 g/mol
Exact Mass370.98
IUPAC Name3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine
SMILESNC(c1csc(I)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H14INOS/c15-13-7-11(8-18-13)14(16)10-3-4-12-9(6-10)2-1-5-17-12/h3-4,6-8,14H,1-2,5,16H2
InChIKeyZUTLJWZTBGMYOK-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 53.73
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

3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol
CID 79684302
1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 63731423
N-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79691303
(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 62275925
[3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 116936978
(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 113425095
(2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61026960
(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine
CID 171222054
(S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine
CID 171202497
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanone
CID 79685466
6-[amino-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79685089

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine (CID 79693199) is 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine is NC(c1csc(I)c1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine?
The InChIKey is ZUTLJWZTBGMYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INOS/c15-13-7-11(8-18-13)14(16)10-3-4-12-9(6-10)2-1-5-17-12/h3-4,6-8,14H,1-2,5,16H2.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine?
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine has a molecular weight of 371.24 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine is sourced from PubChem (CID 79693199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).