4-[4-(2-methoxyethoxy)naphthalen-1-yl]sulfanylbutan-1-amine

C17H23NO2S — CID 129309042

IUPAC4-[4-(2-methoxyethoxy)naphthalen-1-yl]sulfanylbutan-1-amine
SMILESCOCCOc1ccc(SCCCCN)c2ccccc12
InChIInChI=1S/C17H23NO2S/c1-19-11-12-20-16-8-9-17(21-13-5-4-10-18)15-7-3-2-6-14(15)16/h2-3,6-9H,4-5,10-13,18H2,1H3
InChIKeyPYNBCJUMVQOSKJ-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.70
Rot. Bonds9

About 4-[4-(2-methoxyethoxy)naphthalen-1-yl]sulfanylbutan-1-amine

4-[4-(2-methoxyethoxy)naphthalen-1-yl]sulfanylbutan-1-amine (PubChem CID 129309042) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 4-[4-(2-methoxyethoxy)naphthalen-1-yl]sulfanylbutan-1-amine.

Molecular Properties

Compound Name4-[4-(2-methoxyethoxy)naphthalen-1-yl]sulfanylbutan-1-amine
PubChem CID129309042
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name4-[4-(2-methoxyethoxy)naphthalen-1-yl]sulfanylbutan-1-amine
SMILESCOCCOc1ccc(SCCCCN)c2ccccc12
InChIInChI=1S/C17H23NO2S/c1-19-11-12-20-16-8-9-17(21-13-5-4-10-18)15-7-3-2-6-14(15)16/h2-3,6-9H,4-5,10-13,18H2,1H3
InChIKeyPYNBCJUMVQOSKJ-UHFFFAOYSA-N
XLogP3.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-dodecylsulfanyl-4-methoxynaphthalene
CID 71335030
1-(2-methoxyethoxy)-4-methylnaphthalene
CID 90431362
4-[2-(2-methoxyethoxy)ethylsulfanyl]naphthalen-1-ol
CID 112596118
4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine
CID 103177326
1,4-dibutoxynaphthalene
CID 22016411
2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione
CID 71661976
2-(4-aminobutylsulfanyl)phenol
CID 84667847
4-(3-methoxypropoxy)naphthalene-1-sulfonamide
CID 60926106
1-ethenyl-2-(2-methoxyethoxy)naphthalene
CID 176513404
dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate
CID 175948791
1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene
CID 14147524
5-phenylsulfanylpentan-1-amine
CID 15227684

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethoxy)naphthalen-1-yl]sulfanylbutan-1-amine?
The IUPAC name of 4-[4-(2-methoxyethoxy)naphthalen-1-yl]sulfanylbutan-1-amine (CID 129309042) is 4-[4-(2-methoxyethoxy)naphthalen-1-yl]sulfanylbutan-1-amine.
What is the SMILES notation for 4-[4-(2-methoxyethoxy)naphthalen-1-yl]sulfanylbutan-1-amine?
The canonical SMILES for 4-[4-(2-methoxyethoxy)naphthalen-1-yl]sulfanylbutan-1-amine is COCCOc1ccc(SCCCCN)c2ccccc12.
What is the InChIKey of 4-[4-(2-methoxyethoxy)naphthalen-1-yl]sulfanylbutan-1-amine?
The InChIKey is PYNBCJUMVQOSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-19-11-12-20-16-8-9-17(21-13-5-4-10-18)15-7-3-2-6-14(15)16/h2-3,6-9H,4-5,10-13,18H2,1H3.
What are the key properties of 4-[4-(2-methoxyethoxy)naphthalen-1-yl]sulfanylbutan-1-amine?
4-[4-(2-methoxyethoxy)naphthalen-1-yl]sulfanylbutan-1-amine has a molecular weight of 305.44 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethoxy)naphthalen-1-yl]sulfanylbutan-1-amine is sourced from PubChem (CID 129309042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).