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

C14H13Cl2NOS — CID 55228205

IUPAC(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)C1CCOc2ccccc21
InChIInChI=1S/C14H13Cl2NOS/c15-12-7-10(14(16)19-12)13(17)9-5-6-18-11-4-2-1-3-8(9)11/h1-4,7,9,13H,5-6,17H2
InChIKeyIAUIKIRATWWUBZ-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.62
Rot. Bonds2

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

(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine (PubChem CID 55228205) has the molecular formula C14H13Cl2NOS and a molecular weight of 314.24 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
PubChem CID55228205
Molecular FormulaC14H13Cl2NOS
Molecular Weight314.24 g/mol
Exact Mass313.01
IUPAC Name(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)C1CCOc2ccccc21
InChIInChI=1S/C14H13Cl2NOS/c15-12-7-10(14(16)19-12)13(17)9-5-6-18-11-4-2-1-3-8(9)11/h1-4,7,9,13H,5-6,17H2
InChIKeyIAUIKIRATWWUBZ-UHFFFAOYSA-N
XLogP4.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine with MolForge

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorothiophen-3-yl)methanamine
CID 66395525
(2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 63708815
(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 106762643
(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 79742581
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63708637
3,4-dihydro-2H-chromen-4-yl(furan-2-yl)methanamine
CID 63710811
3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299189
[2-(5-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105233865
4-[chloro-(2,5-dibromothiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 55226474
3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol
CID 55225890
2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 65412417
(2,5-dichlorothiophen-3-yl)-(oxolan-2-yl)methanamine
CID 43344806

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine (CID 55228205) is (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine is NC(c1cc(Cl)sc1Cl)C1CCOc2ccccc21.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine?
The InChIKey is IAUIKIRATWWUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NOS/c15-12-7-10(14(16)19-12)13(17)9-5-6-18-11-4-2-1-3-8(9)11/h1-4,7,9,13H,5-6,17H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine?
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine has a molecular weight of 314.24 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine is sourced from PubChem (CID 55228205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).