4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine

C16H15NS — CID 82366106

IUPAC4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine
SMILESCc1sc(N)c(-c2ccc3ccccc3c2)c1C
InChIInChI=1S/C16H15NS/c1-10-11(2)18-16(17)15(10)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,17H2,1-2H3
InChIKeyVMVDJUHUJIMCGX-UHFFFAOYSA-N
MW253.37 g/mol
LogP4.77
Rot. Bonds1

About 4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine

4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine (PubChem CID 82366106) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine
PubChem CID82366106
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC Name4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine
SMILESCc1sc(N)c(-c2ccc3ccccc3c2)c1C
InChIInChI=1S/C16H15NS/c1-10-11(2)18-16(17)15(10)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,17H2,1-2H3
InChIKeyVMVDJUHUJIMCGX-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3,5,6-tetramethylphenyl)naphthalene
CID 90733282
4,5-dimethyl-3-naphthalen-1-ylthiophen-2-amine
CID 90878516
2-methyl-4-naphthalen-2-ylaniline
CID 54912511
2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole
CID 21058775
4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 43109078
5-naphthalen-2-ylthiophen-2-amine
CID 67962708
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 80978774
4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline
CID 87150569
2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene
CID 59195540
3-(6-methylnaphthalen-2-yl)naphthalen-2-amine
CID 155382510
5-naphthalen-2-ylpyrimidin-2-amine
CID 139194225

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine?
The IUPAC name of 4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine (CID 82366106) is 4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine.
What is the SMILES notation for 4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine?
The canonical SMILES for 4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine is Cc1sc(N)c(-c2ccc3ccccc3c2)c1C.
What is the InChIKey of 4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine?
The InChIKey is VMVDJUHUJIMCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS/c1-10-11(2)18-16(17)15(10)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,17H2,1-2H3.
What are the key properties of 4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine?
4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine has a molecular weight of 253.37 g/mol, XLogP of 4.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine is sourced from PubChem (CID 82366106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).