4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine

C21H19NOS — CID 70441897

IUPAC4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine
SMILESCOc1cccc(C2=C(N)SC(c3cccc4ccccc34)C2)c1
InChIInChI=1S/C21H19NOS/c1-23-16-9-4-8-15(12-16)19-13-20(24-21(19)22)18-11-5-7-14-6-2-3-10-17(14)18/h2-12,20H,13,22H2,1H3
InChIKeyXWNJINPDDIEXLJ-UHFFFAOYSA-N
MW333.46 g/mol
LogP5.35
Rot. Bonds3

About 4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine

4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine (PubChem CID 70441897) has the molecular formula C21H19NOS and a molecular weight of 333.46 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine
PubChem CID70441897
Molecular FormulaC21H19NOS
Molecular Weight333.46 g/mol
Exact Mass333.12
IUPAC Name4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine
SMILESCOc1cccc(C2=C(N)SC(c3cccc4ccccc34)C2)c1
InChIInChI=1S/C21H19NOS/c1-23-16-9-4-8-15(12-16)19-13-20(24-21(19)22)18-11-5-7-14-6-2-3-10-17(14)18/h2-12,20H,13,22H2,1H3
InChIKeyXWNJINPDDIEXLJ-UHFFFAOYSA-N
XLogP5.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.46
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-methoxyphenyl)-5-naphthalen-1-ylcyclopent-2-en-1-one
CID 22153245
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CID 1192948
3,5-dimethoxy-2-(2-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol
CID 177454275
3-(3-methoxyphenyl)-1-methylnaphthalene
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CID 174719266
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CID 175169762
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CID 4019885
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CID 18313645
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3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
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2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine?
The IUPAC name of 4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine (CID 70441897) is 4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine is COc1cccc(C2=C(N)SC(c3cccc4ccccc34)C2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine?
The InChIKey is XWNJINPDDIEXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NOS/c1-23-16-9-4-8-15(12-16)19-13-20(24-21(19)22)18-11-5-7-14-6-2-3-10-17(14)18/h2-12,20H,13,22H2,1H3.
What are the key properties of 4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine?
4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine has a molecular weight of 333.46 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-naphthalen-1-yl-2,3-dihydrothiophen-5-amine is sourced from PubChem (CID 70441897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).