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

C13H19NOS — CID 82887708

IUPAC6-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCCCNC1CSCc2ccc(OC)cc21
InChIInChI=1S/C13H19NOS/c1-3-6-14-13-9-16-8-10-4-5-11(15-2)7-12(10)13/h4-5,7,13-14H,3,6,8-9H2,1-2H3
InChIKeySFLOGIURCCQQGK-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.98
Rot. Bonds4

About 6-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine

6-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 82887708) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 6-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound Name6-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID82887708
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name6-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCCCNC1CSCc2ccc(OC)cc21
InChIInChI=1S/C13H19NOS/c1-3-6-14-13-9-16-8-10-4-5-11(15-2)7-12(10)13/h4-5,7,13-14H,3,6,8-9H2,1-2H3
InChIKeySFLOGIURCCQQGK-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine
CID 82886827
N,6-diethyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82887492
N-(2-butoxyethyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 61170504
6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539369
6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 82942309
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367214
6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 79366504
(5R)-7-methoxy-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
CID 82885997
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
6-methoxy-2-(2-methylbutan-2-yloxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79371150

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of 6-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine (CID 82887708) is 6-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for 6-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for 6-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine is CCCNC1CSCc2ccc(OC)cc21.
What is the InChIKey of 6-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is SFLOGIURCCQQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-3-6-14-13-9-16-8-10-4-5-11(15-2)7-12(10)13/h4-5,7,13-14H,3,6,8-9H2,1-2H3.
What are the key properties of 6-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine?
6-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 237.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 82887708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).