2-(6,7-dichloro-3,4-dihydro-2H-thiochromen-4-yl)ethanamine

C11H13Cl2NS — CID 82624140

IUPAC2-(6,7-dichloro-3,4-dihydro-2H-thiochromen-4-yl)ethanamine
SMILESNCCC1CCSc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C11H13Cl2NS/c12-9-5-8-7(1-3-14)2-4-15-11(8)6-10(9)13/h5-7H,1-4,14H2
InChIKeyWEVBQSBXOLLEKH-UHFFFAOYSA-N
MW262.20 g/mol
LogP3.92
Rot. Bonds2

About 2-(6,7-dichloro-3,4-dihydro-2H-thiochromen-4-yl)ethanamine

2-(6,7-dichloro-3,4-dihydro-2H-thiochromen-4-yl)ethanamine (PubChem CID 82624140) has the molecular formula C11H13Cl2NS and a molecular weight of 262.20 g/mol. Its IUPAC name is 2-(6,7-dichloro-3,4-dihydro-2H-thiochromen-4-yl)ethanamine.

Molecular Properties

Compound Name2-(6,7-dichloro-3,4-dihydro-2H-thiochromen-4-yl)ethanamine
PubChem CID82624140
Molecular FormulaC11H13Cl2NS
Molecular Weight262.20 g/mol
Exact Mass261.01
IUPAC Name2-(6,7-dichloro-3,4-dihydro-2H-thiochromen-4-yl)ethanamine
SMILESNCCC1CCSc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C11H13Cl2NS/c12-9-5-8-7(1-3-14)2-4-15-11(8)6-10(9)13/h5-7H,1-4,14H2
InChIKeyWEVBQSBXOLLEKH-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-aminoethyl)-2,3,4,5-tetrahydro-1-benzothiepin-7-ol
CID 82391933
2-(7-methoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)ethanamine
CID 82388911
3-(2-aminoethyl)-2,3-dihydro-1H-inden-5-ol
CID 83827747
7-chloro-4-(isocyanatomethyl)-3,4-dihydro-2H-thiochromene
CID 83843043
2-(2-chloro-5,6-dihydro-4H-cyclopenta[b]furan-4-yl)ethanamine
CID 83906976
3,4-dihydro-2H-thiochromen-4-ylmethanamine
CID 82409281
methyl 4-amino-6-chloro-3,4-dihydro-2H-thiochromene-7-carboxylate
CID 20824484
2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 82078156
2-(9-chloro-7-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine
CID 83672660
4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol
CID 112709775
2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine
CID 82391727
2-(3-chloro-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl)ethanamine
CID 83908221

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dichloro-3,4-dihydro-2H-thiochromen-4-yl)ethanamine?
The IUPAC name of 2-(6,7-dichloro-3,4-dihydro-2H-thiochromen-4-yl)ethanamine (CID 82624140) is 2-(6,7-dichloro-3,4-dihydro-2H-thiochromen-4-yl)ethanamine.
What is the SMILES notation for 2-(6,7-dichloro-3,4-dihydro-2H-thiochromen-4-yl)ethanamine?
The canonical SMILES for 2-(6,7-dichloro-3,4-dihydro-2H-thiochromen-4-yl)ethanamine is NCCC1CCSc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 2-(6,7-dichloro-3,4-dihydro-2H-thiochromen-4-yl)ethanamine?
The InChIKey is WEVBQSBXOLLEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NS/c12-9-5-8-7(1-3-14)2-4-15-11(8)6-10(9)13/h5-7H,1-4,14H2.
What are the key properties of 2-(6,7-dichloro-3,4-dihydro-2H-thiochromen-4-yl)ethanamine?
2-(6,7-dichloro-3,4-dihydro-2H-thiochromen-4-yl)ethanamine has a molecular weight of 262.20 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dichloro-3,4-dihydro-2H-thiochromen-4-yl)ethanamine is sourced from PubChem (CID 82624140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).