6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H21NOS — CID 64649458

IUPAC6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCC(Sc1ccccc1C)C2N
InChIInChI=1S/C18H21NOS/c1-12-5-3-4-6-16(12)21-17-10-7-13-11-14(20-2)8-9-15(13)18(17)19/h3-6,8-9,11,17-18H,7,10,19H2,1-2H3
InChIKeyCRLBSYXQPUXHLL-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.11
Rot. Bonds3

About 6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64649458) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64649458
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCC(Sc1ccccc1C)C2N
InChIInChI=1S/C18H21NOS/c1-12-5-3-4-6-16(12)21-17-10-7-13-11-14(20-2)8-9-15(13)18(17)19/h3-6,8-9,11,17-18H,7,10,19H2,1-2H3
InChIKeyCRLBSYXQPUXHLL-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619980
6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64647734
2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64612644
2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64612568
2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619553
6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107762876
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
2-(4-fluorophenyl)sulfanyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236126
7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763288
7-methoxy-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79237114
2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43184261
2-(cyclopropylmethoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43211668

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64649458) is 6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCC(Sc1ccccc1C)C2N.
What is the InChIKey of 6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is CRLBSYXQPUXHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-12-5-3-4-6-16(12)21-17-10-7-13-11-14(20-2)8-9-15(13)18(17)19/h3-6,8-9,11,17-18H,7,10,19H2,1-2H3.
What are the key properties of 6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 299.44 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64649458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).