3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine

C15H23NOS — CID 105356722

IUPAC3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCCCNC1c2cccc(OC)c2CSC1CC
InChIInChI=1S/C15H23NOS/c1-4-9-16-15-11-7-6-8-13(17-3)12(11)10-18-14(15)5-2/h6-8,14-16H,4-5,9-10H2,1-3H3
InChIKeyLIYSUAMVJKLQCD-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.76
Rot. Bonds5

About 3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine

3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 105356722) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound Name3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID105356722
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCCCNC1c2cccc(OC)c2CSC1CC
InChIInChI=1S/C15H23NOS/c1-4-9-16-15-11-7-6-8-13(17-3)12(11)10-18-14(15)5-2/h6-8,14-16H,4-5,9-10H2,1-3H3
InChIKeyLIYSUAMVJKLQCD-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356884
8-bromo-3-ethyl-5-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356740
6-bromo-3-ethyl-5,8-dimethoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356733
8-methoxy-3,3-dimethyl-N-propyl-1,4-dihydroisothiochromen-4-amine
CID 82887047
8-bromo-N,3-diethyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356700
3-ethyl-5,8-difluoro-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356732
8-chloro-3-methyl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82886388
8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356806
8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol
CID 82886324
8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol
CID 82887429
6-bromo-N,3-diethyl-5,8-dimethoxy-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356694
4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine
CID 12773157

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of 3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine (CID 105356722) is 3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for 3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for 3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine is CCCNC1c2cccc(OC)c2CSC1CC.
What is the InChIKey of 3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is LIYSUAMVJKLQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-9-16-15-11-7-6-8-13(17-3)12(11)10-18-14(15)5-2/h6-8,14-16H,4-5,9-10H2,1-3H3.
What are the key properties of 3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine?
3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 265.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 105356722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).