2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol

C12H17NO2S — CID 83912486

IUPAC2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol
SMILESCOc1ccc2c(c1)SCCC2C(N)CO
InChIInChI=1S/C12H17NO2S/c1-15-8-2-3-10-9(11(13)7-14)4-5-16-12(10)6-8/h2-3,6,9,11,14H,4-5,7,13H2,1H3
InChIKeyRGLBGKZENPUURX-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.59
Rot. Bonds3

About 2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol

2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol (PubChem CID 83912486) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol
PubChem CID83912486
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol
SMILESCOc1ccc2c(c1)SCCC2C(N)CO
InChIInChI=1S/C12H17NO2S/c1-15-8-2-3-10-9(11(13)7-14)4-5-16-12(10)6-8/h2-3,6,9,11,14H,4-5,7,13H2,1H3
InChIKeyRGLBGKZENPUURX-UHFFFAOYSA-N
XLogP1.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol
CID 83912483
7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene
CID 121216944
2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
CID 83910921
2-amino-2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanol
CID 116995713
N-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 102972118
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105151013
2-(7-methoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)ethanamine
CID 82388911
6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde
CID 83909235
3-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-2-methylpropan-1-ol
CID 83985293
(2R)-1-[[(5R)-7-methoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-yl]amino]propan-2-ol
CID 99824226
[4-[7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromen-4-yl]phenyl]methanol
CID 23537988
(2S)-2-amino-3-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-ol
CID 167214633

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol?
The IUPAC name of 2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol (CID 83912486) is 2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol.
What is the SMILES notation for 2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol?
The canonical SMILES for 2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol is COc1ccc2c(c1)SCCC2C(N)CO.
What is the InChIKey of 2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol?
The InChIKey is RGLBGKZENPUURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-15-8-2-3-10-9(11(13)7-14)4-5-16-12(10)6-8/h2-3,6,9,11,14H,4-5,7,13H2,1H3.
What are the key properties of 2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol?
2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol has a molecular weight of 239.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(7-methoxy-3,4-dihydro-2H-thiochromen-4-yl)ethanol is sourced from PubChem (CID 83912486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).