7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C18H21NOS — CID 115510225

IUPAC7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(Nc1cccc(SC)c1)CC2
InChIInChI=1S/C18H21NOS/c1-20-17-9-7-13-6-8-16(10-14(13)11-17)19-15-4-3-5-18(12-15)21-2/h3-5,7,9,11-12,16,19H,6,8,10H2,1-2H3
InChIKeyHCYRVAFWOKWYGN-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.39
Rot. Bonds4

About 7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 115510225) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID115510225
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(Nc1cccc(SC)c1)CC2
InChIInChI=1S/C18H21NOS/c1-20-17-9-7-13-6-8-16(10-14(13)11-17)19-15-4-3-5-18(12-15)21-2/h3-5,7,9,11-12,16,19H,6,8,10H2,1-2H3
InChIKeyHCYRVAFWOKWYGN-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510381
N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107597292
2-(4-fluorosulfonyloxyanilino)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 146097580
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43759178
N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107633014
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
7-methoxy-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510335
6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 79367211
7-methoxy-N-(1-methylsulfanylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115901665
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 115510225) is 7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC(Nc1cccc(SC)c1)CC2.
What is the InChIKey of 7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is HCYRVAFWOKWYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-20-17-9-7-13-6-8-16(10-14(13)11-17)19-15-4-3-5-18(12-15)21-2/h3-5,7,9,11-12,16,19H,6,8,10H2,1-2H3.
What are the key properties of 7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 299.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 115510225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).