8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine

C14H21NOS — CID 105356806

IUPAC8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCNC1c2cccc(OC)c2CSC1C(C)C
InChIInChI=1S/C14H21NOS/c1-9(2)14-13(15-3)10-6-5-7-12(16-4)11(10)8-17-14/h5-7,9,13-15H,8H2,1-4H3
InChIKeyKTDBGTARQWILRU-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.23
Rot. Bonds3

About 8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine

8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 105356806) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound Name8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID105356806
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCNC1c2cccc(OC)c2CSC1C(C)C
InChIInChI=1S/C14H21NOS/c1-9(2)14-13(15-3)10-6-5-7-12(16-4)11(10)8-17-14/h5-7,9,13-15H,8H2,1-4H3
InChIKeyKTDBGTARQWILRU-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.23
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
6-bromo-5,8-dimethoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356817
N-ethyl-8-fluoro-7-methoxy-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356862
8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol
CID 82886324
3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356722
8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine
CID 82886640
8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol
CID 82887429
8-chloro-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol
CID 105356551
8-chloro-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356779
5-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115058079
3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol
CID 105356533
4-methoxy-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726670

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of 8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine (CID 105356806) is 8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for 8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for 8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine is CNC1c2cccc(OC)c2CSC1C(C)C.
What is the InChIKey of 8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is KTDBGTARQWILRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-9(2)14-13(15-3)10-6-5-7-12(16-4)11(10)8-17-14/h5-7,9,13-15H,8H2,1-4H3.
What are the key properties of 8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine?
8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 251.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 105356806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).