4-[3-(methylamino)-1-thiophen-2-ylpropyl]naphthalen-1-ol

C18H19NOS — CID 23641781

IUPAC4-[3-(methylamino)-1-thiophen-2-ylpropyl]naphthalen-1-ol
SMILESCNCCC(c1cccs1)c1ccc(O)c2ccccc12
InChIInChI=1S/C18H19NOS/c1-19-11-10-16(18-7-4-12-21-18)14-8-9-17(20)15-6-3-2-5-13(14)15/h2-9,12,16,19-20H,10-11H2,1H3
InChIKeyOJXMJLCWKLPCHB-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.35
Rot. Bonds5

About 4-[3-(methylamino)-1-thiophen-2-ylpropyl]naphthalen-1-ol

4-[3-(methylamino)-1-thiophen-2-ylpropyl]naphthalen-1-ol (PubChem CID 23641781) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[3-(methylamino)-1-thiophen-2-ylpropyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[3-(methylamino)-1-thiophen-2-ylpropyl]naphthalen-1-ol
PubChem CID23641781
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name4-[3-(methylamino)-1-thiophen-2-ylpropyl]naphthalen-1-ol
SMILESCNCCC(c1cccs1)c1ccc(O)c2ccccc12
InChIInChI=1S/C18H19NOS/c1-19-11-10-16(18-7-4-12-21-18)14-8-9-17(20)15-6-3-2-5-13(14)15/h2-9,12,16,19-20H,10-11H2,1H3
InChIKeyOJXMJLCWKLPCHB-UHFFFAOYSA-N
XLogP4.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)-1-thiophen-2-ylpropyl]naphthalen-1-ol?
The IUPAC name of 4-[3-(methylamino)-1-thiophen-2-ylpropyl]naphthalen-1-ol (CID 23641781) is 4-[3-(methylamino)-1-thiophen-2-ylpropyl]naphthalen-1-ol.
What is the SMILES notation for 4-[3-(methylamino)-1-thiophen-2-ylpropyl]naphthalen-1-ol?
The canonical SMILES for 4-[3-(methylamino)-1-thiophen-2-ylpropyl]naphthalen-1-ol is CNCCC(c1cccs1)c1ccc(O)c2ccccc12.
What is the InChIKey of 4-[3-(methylamino)-1-thiophen-2-ylpropyl]naphthalen-1-ol?
The InChIKey is OJXMJLCWKLPCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-19-11-10-16(18-7-4-12-21-18)14-8-9-17(20)15-6-3-2-5-13(14)15/h2-9,12,16,19-20H,10-11H2,1H3.
What are the key properties of 4-[3-(methylamino)-1-thiophen-2-ylpropyl]naphthalen-1-ol?
4-[3-(methylamino)-1-thiophen-2-ylpropyl]naphthalen-1-ol has a molecular weight of 297.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)-1-thiophen-2-ylpropyl]naphthalen-1-ol is sourced from PubChem (CID 23641781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).