N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine

C18H19NOS — CID 11855337

IUPACN-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine
SMILESCNCCC(Oc1cccc2ccccc12)c1ccsc1
InChIInChI=1S/C18H19NOS/c1-19-11-9-17(15-10-12-21-13-15)20-18-8-4-6-14-5-2-3-7-16(14)18/h2-8,10,12-13,17,19H,9,11H2,1H3
InChIKeyGMHDOCXPDYDKOR-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.63
Rot. Bonds6

About N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine

N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine (PubChem CID 11855337) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine
PubChem CID11855337
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC NameN-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine
SMILESCNCCC(Oc1cccc2ccccc12)c1ccsc1
InChIInChI=1S/C18H19NOS/c1-19-11-9-17(15-10-12-21-13-15)20-18-8-4-6-14-5-2-3-7-16(14)18/h2-8,10,12-13,17,19H,9,11H2,1H3
InChIKeyGMHDOCXPDYDKOR-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine (CID 11855337) is N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine is CNCCC(Oc1cccc2ccccc12)c1ccsc1.
What is the InChIKey of N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine?
The InChIKey is GMHDOCXPDYDKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-19-11-9-17(15-10-12-21-13-15)20-18-8-4-6-14-5-2-3-7-16(14)18/h2-8,10,12-13,17,19H,9,11H2,1H3.
What are the key properties of N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine?
N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine has a molecular weight of 297.42 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 11855337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).