(3R)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine

C17H17NOS — CID 46227262

IUPAC(3R)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
SMILESNCC[C@@H](Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C17H17NOS/c18-11-10-16(17-9-4-12-20-17)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-9,12,16H,10-11,18H2/t16-/m1/s1
InChIKeyZMXLKLOJDLMZFC-MRXNPFEDSA-N
MW283.40 g/mol
LogP4.37
Rot. Bonds5

About (3R)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine

(3R)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine (PubChem CID 46227262) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is (3R)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
PubChem CID46227262
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name(3R)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
SMILESNCC[C@@H](Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C17H17NOS/c18-11-10-16(17-9-4-12-20-17)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-9,12,16H,10-11,18H2/t16-/m1/s1
InChIKeyZMXLKLOJDLMZFC-MRXNPFEDSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of (3R)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine (CID 46227262) is (3R)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (3R)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (3R)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine is NCC[C@@H](Oc1cccc2ccccc12)c1cccs1.
What is the InChIKey of (3R)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine?
The InChIKey is ZMXLKLOJDLMZFC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17NOS/c18-11-10-16(17-9-4-12-20-17)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-9,12,16H,10-11,18H2/t16-/m1/s1.
What are the key properties of (3R)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine?
(3R)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine has a molecular weight of 283.40 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 46227262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).