2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C16H19NO2S — CID 79247700

IUPAC2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(SCc1ccco1)CC2
InChIInChI=1S/C16H19NO2S/c1-18-12-6-4-11-5-7-15(16(17)14(11)9-12)20-10-13-3-2-8-19-13/h2-4,6,8-9,15-16H,5,7,10,17H2,1H3
InChIKeyALUUVRPBKWBHGF-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.54
Rot. Bonds4

About 2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79247700) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79247700
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(SCc1ccco1)CC2
InChIInChI=1S/C16H19NO2S/c1-18-12-6-4-11-5-7-15(16(17)14(11)9-12)20-10-13-3-2-8-19-13/h2-4,6,8-9,15-16H,5,7,10,17H2,1H3
InChIKeyALUUVRPBKWBHGF-UHFFFAOYSA-N
XLogP3.54
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide
CID 114231486
7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763288
ethyl 2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetate
CID 79248246
2-cyclohexylsulfanyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247855
2-(4-fluorophenyl)sulfanyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236126
7-methoxy-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79237114
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107762876
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
N-(furan-2-ylmethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510207
6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619980

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79247700) is 2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(N)C(SCc1ccco1)CC2.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ALUUVRPBKWBHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-18-12-6-4-11-5-7-15(16(17)14(11)9-12)20-10-13-3-2-8-19-13/h2-4,6,8-9,15-16H,5,7,10,17H2,1H3.
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79247700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).