4-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-amine

C15H12ClNOS — CID 63691859

IUPAC4-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-amine
SMILESNc1ccc(OCc2ccc(Cl)s2)c2ccccc12
InChIInChI=1S/C15H12ClNOS/c16-15-8-5-10(19-15)9-18-14-7-6-13(17)11-3-1-2-4-12(11)14/h1-8H,9,17H2
InChIKeyWDWKKDNDBHKVIC-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.72
Rot. Bonds3

About 4-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-amine

4-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-amine (PubChem CID 63691859) has the molecular formula C15H12ClNOS and a molecular weight of 289.79 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-amine.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-amine
PubChem CID63691859
Molecular FormulaC15H12ClNOS
Molecular Weight289.79 g/mol
Exact Mass289.03
IUPAC Name4-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-amine
SMILESNc1ccc(OCc2ccc(Cl)s2)c2ccccc12
InChIInChI=1S/C15H12ClNOS/c16-15-8-5-10(19-15)9-18-14-7-6-13(17)11-3-1-2-4-12(11)14/h1-8H,9,17H2
InChIKeyWDWKKDNDBHKVIC-UHFFFAOYSA-N
XLogP4.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-amine?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-amine (CID 63691859) is 4-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-amine.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-amine?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-amine is Nc1ccc(OCc2ccc(Cl)s2)c2ccccc12.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-amine?
The InChIKey is WDWKKDNDBHKVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNOS/c16-15-8-5-10(19-15)9-18-14-7-6-13(17)11-3-1-2-4-12(11)14/h1-8H,9,17H2.
What are the key properties of 4-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-amine?
4-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-amine has a molecular weight of 289.79 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-amine is sourced from PubChem (CID 63691859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).