2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H21NS — CID 64619553

IUPAC2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccc(SC2CCc3ccccc3C2N)c(C)c1
InChIInChI=1S/C18H21NS/c1-12-7-9-16(13(2)11-12)20-17-10-8-14-5-3-4-6-15(14)18(17)19/h3-7,9,11,17-18H,8,10,19H2,1-2H3
InChIKeyVDWTYKOHZTYIGV-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.41
Rot. Bonds2

About 2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64619553) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64619553
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccc(SC2CCc3ccccc3C2N)c(C)c1
InChIInChI=1S/C18H21NS/c1-12-7-9-16(13(2)11-12)20-17-10-8-14-5-3-4-6-15(14)18(17)19/h3-7,9,11,17-18H,8,10,19H2,1-2H3
InChIKeyVDWTYKOHZTYIGV-UHFFFAOYSA-N
XLogP4.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64619553) is 2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1ccc(SC2CCc3ccccc3C2N)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is VDWTYKOHZTYIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-12-7-9-16(13(2)11-12)20-17-10-8-14-5-3-4-6-15(14)18(17)19/h3-7,9,11,17-18H,8,10,19H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 283.44 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64619553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).