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

C18H19NOS — CID 10334821

IUPAC(3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1
InChIKeyZEUITGRIYCTCEM-QGZVFWFLSA-N
MW297.42 g/mol
LogP4.63
Rot. Bonds6

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

(3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine (PubChem CID 10334821) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
PubChem CID10334821
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name(3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1
InChIKeyZEUITGRIYCTCEM-QGZVFWFLSA-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 (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine (CID 10334821) is (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine is CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1.
What is the InChIKey of (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine?
The InChIKey is ZEUITGRIYCTCEM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine?
(3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-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 (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 10334821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).