2-ethoxy-4-naphthalen-2-ylsulfanylaniline

C18H17NOS — CID 63676558

IUPAC2-ethoxy-4-naphthalen-2-ylsulfanylaniline
SMILESCCOc1cc(Sc2ccc3ccccc3c2)ccc1N
InChIInChI=1S/C18H17NOS/c1-2-20-18-12-16(9-10-17(18)19)21-15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2,19H2,1H3
InChIKeyBNRITFPLGKYOMT-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.97
Rot. Bonds4

About 2-ethoxy-4-naphthalen-2-ylsulfanylaniline

2-ethoxy-4-naphthalen-2-ylsulfanylaniline (PubChem CID 63676558) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-ethoxy-4-naphthalen-2-ylsulfanylaniline.

Molecular Properties

Compound Name2-ethoxy-4-naphthalen-2-ylsulfanylaniline
PubChem CID63676558
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name2-ethoxy-4-naphthalen-2-ylsulfanylaniline
SMILESCCOc1cc(Sc2ccc3ccccc3c2)ccc1N
InChIInChI=1S/C18H17NOS/c1-2-20-18-12-16(9-10-17(18)19)21-15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2,19H2,1H3
InChIKeyBNRITFPLGKYOMT-UHFFFAOYSA-N
XLogP4.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline
CID 63675963
2-ethoxy-4-(2-methylphenyl)sulfanylaniline
CID 63677616
4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline
CID 63677822
2-ethoxy-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylaniline
CID 65039120
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-ethoxyaniline
CID 115478280
2-ethoxy-4-(4-methylpyrimidin-2-yl)sulfanylaniline
CID 63677183
2-ethoxy-4-propylsulfanylaniline
CID 63677395
2-ethoxy-4-propan-2-ylsulfanylaniline
CID 63678030
4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline
CID 63676554
4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline
CID 63675968
2-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921549
2-ethoxy-4-pyrimidin-4-ylsulfanylaniline
CID 63696377

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-naphthalen-2-ylsulfanylaniline?
The IUPAC name of 2-ethoxy-4-naphthalen-2-ylsulfanylaniline (CID 63676558) is 2-ethoxy-4-naphthalen-2-ylsulfanylaniline.
What is the SMILES notation for 2-ethoxy-4-naphthalen-2-ylsulfanylaniline?
The canonical SMILES for 2-ethoxy-4-naphthalen-2-ylsulfanylaniline is CCOc1cc(Sc2ccc3ccccc3c2)ccc1N.
What is the InChIKey of 2-ethoxy-4-naphthalen-2-ylsulfanylaniline?
The InChIKey is BNRITFPLGKYOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-2-20-18-12-16(9-10-17(18)19)21-15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2,19H2,1H3.
What are the key properties of 2-ethoxy-4-naphthalen-2-ylsulfanylaniline?
2-ethoxy-4-naphthalen-2-ylsulfanylaniline has a molecular weight of 295.41 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-naphthalen-2-ylsulfanylaniline is sourced from PubChem (CID 63676558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).