7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C16H25NOS — CID 107763288

IUPAC7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(SC(C)C(C)C)CC2
InChIInChI=1S/C16H25NOS/c1-10(2)11(3)19-15-8-6-12-5-7-13(18-4)9-14(12)16(15)17/h5,7,9-11,15-16H,6,8,17H2,1-4H3
InChIKeyMWVLCLNYKALYMW-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.79
Rot. Bonds4

About 7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine

7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 107763288) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID107763288
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(SC(C)C(C)C)CC2
InChIInChI=1S/C16H25NOS/c1-10(2)11(3)19-15-8-6-12-5-7-13(18-4)9-14(12)16(15)17/h5,7,9-11,15-16H,6,8,17H2,1-4H3
InChIKeyMWVLCLNYKALYMW-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

2-cyclohexylsulfanyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247855
2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64612568
2-(4-fluorophenyl)sulfanyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236126
2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide
CID 114231486
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol
CID 107772532
2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247700
N-ethyl-6-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763324
ethyl 2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetate
CID 79248246
7-methoxy-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79237114
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236232

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 107763288) is 7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(N)C(SC(C)C(C)C)CC2.
What is the InChIKey of 7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MWVLCLNYKALYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-10(2)11(3)19-15-8-6-12-5-7-13(18-4)9-14(12)16(15)17/h5,7,9-11,15-16H,6,8,17H2,1-4H3.
What are the key properties of 7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 107763288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).