2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H25NO2S — CID 79247695

IUPAC2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2cc(OC)ccc2CCC1S(=O)C(C)(C)C
InChIInChI=1S/C16H25NO2S/c1-16(2,3)20(18)14-9-7-11-6-8-12(19-5)10-13(11)15(14)17-4/h6,8,10,14-15,17H,7,9H2,1-5H3
InChIKeyJUKZSHOXDYKBQF-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.82
Rot. Bonds3

About 2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79247695) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79247695
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2cc(OC)ccc2CCC1S(=O)C(C)(C)C
InChIInChI=1S/C16H25NO2S/c1-16(2,3)20(18)14-9-7-11-6-8-12(19-5)10-13(11)15(14)17-4/h6,8,10,14-15,17H,7,9H2,1-5H3
InChIKeyJUKZSHOXDYKBQF-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-ylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248549
2-N-cyclopentyl-7-methoxy-1-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79232382
2-N-(cyclopropylmethyl)-7-methoxy-1-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79247986
6-methoxy-2-(3-methoxypropylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658416
7-methoxy-N-methyl-2-(3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82960676
7-methoxy-N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236733
3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol
CID 107772532
7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248528
7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248477
7-methoxy-N-methyl-2-(2-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763687
6-methoxy-2,3-dihydro-1H-indene-1-thiol
CID 79374496
methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 79367554

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79247695) is 2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2cc(OC)ccc2CCC1S(=O)C(C)(C)C.
What is the InChIKey of 2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JUKZSHOXDYKBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-16(2,3)20(18)14-9-7-11-6-8-12(19-5)10-13(11)15(14)17-4/h6,8,10,14-15,17H,7,9H2,1-5H3.
What are the key properties of 2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 295.45 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79247695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).