6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine

C11H14ClNS — CID 43538849

IUPAC6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCNC1CC(C)Sc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNS/c1-7-5-10(13-2)9-6-8(12)3-4-11(9)14-7/h3-4,6-7,10,13H,5H2,1-2H3
InChIKeyIWLJIXQTQHSPIM-UHFFFAOYSA-N
MW227.76 g/mol
LogP3.48
Rot. Bonds1

About 6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine

6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43538849) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43538849
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCNC1CC(C)Sc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNS/c1-7-5-10(13-2)9-6-8(12)3-4-11(9)14-7/h3-4,6-7,10,13H,5H2,1-2H3
InChIKeyIWLJIXQTQHSPIM-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-N,3-dimethyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82889820
6-chloro-N,2-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43538964
N-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539077
5-chloro-2-ethyl-N-methyl-2,3-dihydro-1-benzothiophen-3-amine
CID 64661225
5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539036
5-chloro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 83048835
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54776023
6-chloro-N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 64751758
6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619645
6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43232535
6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538840
6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711207

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine (CID 43538849) is 6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine is CNC1CC(C)Sc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is IWLJIXQTQHSPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c1-7-5-10(13-2)9-6-8(12)3-4-11(9)14-7/h3-4,6-7,10,13H,5H2,1-2H3.
What are the key properties of 6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine?
6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 227.76 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43538849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).