2,2-dimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol

C16H21NO2S — CID 53375196

IUPAC2,2-dimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol
SMILESCCCNC1c2ccc3ccsc3c2OC(C)(C)C1O
InChIInChI=1S/C16H21NO2S/c1-4-8-17-12-11-6-5-10-7-9-20-14(10)13(11)19-16(2,3)15(12)18/h5-7,9,12,15,17-18H,4,8H2,1-3H3
InChIKeyADBPQSNAOQLQEK-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.47
Rot. Bonds3

About 2,2-dimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol

2,2-dimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol (PubChem CID 53375196) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2,2-dimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol
PubChem CID53375196
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name2,2-dimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol
SMILESCCCNC1c2ccc3ccsc3c2OC(C)(C)C1O
InChIInChI=1S/C16H21NO2S/c1-4-8-17-12-11-6-5-10-7-9-20-14(10)13(11)19-16(2,3)15(12)18/h5-7,9,12,15,17-18H,4,8H2,1-3H3
InChIKeyADBPQSNAOQLQEK-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,8-trimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol
CID 53375198
3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539698
N,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine
CID 83049499
1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone
CID 116562808
(6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol
CID 102015309
(8R)-7,7-dimethyl-9-(pentylamino)-8,9-dihydropyrano[2,3-g]quinoxalin-8-ol
CID 159014562
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 105021891
N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 81153718
N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105021865
6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049608
2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64663645

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol?
The IUPAC name of 2,2-dimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol (CID 53375196) is 2,2-dimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol.
What is the SMILES notation for 2,2-dimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol?
The canonical SMILES for 2,2-dimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol is CCCNC1c2ccc3ccsc3c2OC(C)(C)C1O.
What is the InChIKey of 2,2-dimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol?
The InChIKey is ADBPQSNAOQLQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-4-8-17-12-11-6-5-10-7-9-20-14(10)13(11)19-16(2,3)15(12)18/h5-7,9,12,15,17-18H,4,8H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol?
2,2-dimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol has a molecular weight of 291.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(propylamino)-3,4-dihydrothieno[3,2-h]chromen-3-ol is sourced from PubChem (CID 53375196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).