2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine

C18H17NOS — CID 141169012

IUPAC2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine
SMILESNCCSc1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H17NOS/c19-11-12-21-18-9-7-16(8-10-18)20-17-6-5-14-3-1-2-4-15(14)13-17/h1-10,13H,11-12,19H2
InChIKeyYFTVILWZZWWVNC-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.68
Rot. Bonds5

About 2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine

2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine (PubChem CID 141169012) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine.

Molecular Properties

Compound Name2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine
PubChem CID141169012
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine
SMILESNCCSc1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H17NOS/c19-11-12-21-18-9-7-16(8-10-18)20-17-6-5-14-3-1-2-4-15(14)13-17/h1-10,13H,11-12,19H2
InChIKeyYFTVILWZZWWVNC-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-{[3-(Benzenesulfonyl)-5-methylhex-4-en-1-yl]oxy}naphthalene
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2-(3,4-difluorophenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)acetamide
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2-[[2-(4-Methoxyphenyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]sulfanyl]ethanamine
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2-[[2-(4-Methoxyphenyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]sulfanyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine?
The IUPAC name of 2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine (CID 141169012) is 2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine.
What is the SMILES notation for 2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine?
The canonical SMILES for 2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine is NCCSc1ccc(Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine?
The InChIKey is YFTVILWZZWWVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c19-11-12-21-18-9-7-16(8-10-18)20-17-6-5-14-3-1-2-4-15(14)13-17/h1-10,13H,11-12,19H2.
What are the key properties of 2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine?
2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine has a molecular weight of 295.41 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine is sourced from PubChem (CID 141169012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).