N,3-diethyl-8-fluoro-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine

C14H20FNOS — CID 102880088

IUPACN,3-diethyl-8-fluoro-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCCNC1c2cc(OC)cc(F)c2CSC1CC
InChIInChI=1S/C14H20FNOS/c1-4-13-14(16-5-2)10-6-9(17-3)7-12(15)11(10)8-18-13/h6-7,13-14,16H,4-5,8H2,1-3H3
InChIKeyBNOOPYDYNMAMRY-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.51
Rot. Bonds4

About N,3-diethyl-8-fluoro-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine

N,3-diethyl-8-fluoro-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 102880088) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is N,3-diethyl-8-fluoro-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound NameN,3-diethyl-8-fluoro-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID102880088
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC NameN,3-diethyl-8-fluoro-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCCNC1c2cc(OC)cc(F)c2CSC1CC
InChIInChI=1S/C14H20FNOS/c1-4-13-14(16-5-2)10-6-9(17-3)7-12(15)11(10)8-18-13/h6-7,13-14,16H,4-5,8H2,1-3H3
InChIKeyBNOOPYDYNMAMRY-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-6-methoxy-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
CID 102880090
6-bromo-N,3-diethyl-5,8-dimethoxy-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356694
8-bromo-N,3-diethyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356700
6-bromo-3-ethyl-8-fluoro-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356577
3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356722
3-ethyl-5,8-difluoro-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356732
8-chloro-3-ethyl-6-fluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356620
3-ethyl-5,8-difluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356651
N-[(3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 103395777
N-ethyl-8-fluoro-7-methoxy-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356862
N-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356835
1-(3-ethyl-1,4-dithian-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 103395776

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-8-fluoro-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of N,3-diethyl-8-fluoro-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine (CID 102880088) is N,3-diethyl-8-fluoro-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for N,3-diethyl-8-fluoro-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for N,3-diethyl-8-fluoro-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine is CCNC1c2cc(OC)cc(F)c2CSC1CC.
What is the InChIKey of N,3-diethyl-8-fluoro-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is BNOOPYDYNMAMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-4-13-14(16-5-2)10-6-9(17-3)7-12(15)11(10)8-18-13/h6-7,13-14,16H,4-5,8H2,1-3H3.
What are the key properties of N,3-diethyl-8-fluoro-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine?
N,3-diethyl-8-fluoro-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 269.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-8-fluoro-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 102880088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).