[7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol

C17H21NO2S — CID 115511086

IUPAC[7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
SMILESCOc1ccc2c(c1)CC(CO)(NCc1cccs1)CC2
InChIInChI=1S/C17H21NO2S/c1-20-15-5-4-13-6-7-17(12-19,10-14(13)9-15)18-11-16-3-2-8-21-16/h2-5,8-9,18-19H,6-7,10-12H2,1H3
InChIKeyWPTMNWBCAHKFPM-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.77
Rot. Bonds5

About [7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol

[7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol (PubChem CID 115511086) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is [7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
PubChem CID115511086
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name[7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
SMILESCOc1ccc2c(c1)CC(CO)(NCc1cccs1)CC2
InChIInChI=1S/C17H21NO2S/c1-20-15-5-4-13-6-7-17(12-19,10-14(13)9-15)18-11-16-3-2-8-21-16/h2-5,8-9,18-19H,6-7,10-12H2,1H3
InChIKeyWPTMNWBCAHKFPM-UHFFFAOYSA-N
XLogP2.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
The IUPAC name of [7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol (CID 115511086) is [7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol.
What is the SMILES notation for [7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
The canonical SMILES for [7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol is COc1ccc2c(c1)CC(CO)(NCc1cccs1)CC2.
What is the InChIKey of [7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
The InChIKey is WPTMNWBCAHKFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-20-15-5-4-13-6-7-17(12-19,10-14(13)9-15)18-11-16-3-2-8-21-16/h2-5,8-9,18-19H,6-7,10-12H2,1H3.
What are the key properties of [7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
[7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol has a molecular weight of 303.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methoxy-2-(thiophen-2-ylmethylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol is sourced from PubChem (CID 115511086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).