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

C13H19NS — CID 43539077

IUPACN-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCNC1CC(C)Sc2ccc(C)cc21
InChIInChI=1S/C13H19NS/c1-4-14-12-8-10(3)15-13-6-5-9(2)7-11(12)13/h5-7,10,12,14H,4,8H2,1-3H3
InChIKeyNHJUTUMBAYZZMS-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.53
Rot. Bonds2

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

N-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43539077) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43539077
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCNC1CC(C)Sc2ccc(C)cc21
InChIInChI=1S/C13H19NS/c1-4-14-12-8-10(3)15-13-6-5-9(2)7-11(12)13/h5-7,10,12,14H,4,8H2,1-3H3
InChIKeyNHJUTUMBAYZZMS-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538849
2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine
CID 43538985
N-(2-chloroprop-2-enyl)-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 115891056
N-ethyl-7-fluoro-3,9-dimethyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 114350292
N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114712757
N-ethyl-2-(2-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712724
N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712701
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 107126247
3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 63821562
N,2,3,6-tetramethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 79414864
1-(2,5-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 83909123
N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712784

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiochromen-4-amine (CID 43539077) is N-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiochromen-4-amine is CCNC1CC(C)Sc2ccc(C)cc21.
What is the InChIKey of N-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is NHJUTUMBAYZZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-4-14-12-8-10(3)15-13-6-5-9(2)7-11(12)13/h5-7,10,12,14H,4,8H2,1-3H3.
What are the key properties of N-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiochromen-4-amine?
N-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 221.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43539077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).