N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine

C19H21NOS — CID 11573192

IUPACN,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
SMILESCN(C)CCC(Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C19H21NOS/c1-20(2)13-12-18(19-11-6-14-22-19)21-17-10-5-8-15-7-3-4-9-16(15)17/h3-11,14,18H,12-13H2,1-2H3
InChIKeyJFTURWWGPMTABQ-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.97
Rot. Bonds6

About N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine

N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine (PubChem CID 11573192) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
PubChem CID11573192
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC NameN,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
SMILESCN(C)CCC(Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C19H21NOS/c1-20(2)13-12-18(19-11-6-14-22-19)21-17-10-5-8-15-7-3-4-9-16(15)17/h3-11,14,18H,12-13H2,1-2H3
InChIKeyJFTURWWGPMTABQ-UHFFFAOYSA-N
XLogP4.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine (CID 11573192) is N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine is CN(C)CCC(Oc1cccc2ccccc12)c1cccs1.
What is the InChIKey of N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine?
The InChIKey is JFTURWWGPMTABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS/c1-20(2)13-12-18(19-11-6-14-22-19)21-17-10-5-8-15-7-3-4-9-16(15)17/h3-11,14,18H,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine?
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine has a molecular weight of 311.45 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 11573192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).