(3R)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-3-ylpropan-1-amine

C17H18N2OS — CID 135145345

IUPAC(3R)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc2ccncc12)c1ccsc1
InChIInChI=1S/C17H18N2OS/c1-18-8-6-16(14-7-10-21-12-14)20-17-4-2-3-13-5-9-19-11-15(13)17/h2-5,7,9-12,16,18H,6,8H2,1H3/t16-/m1/s1
InChIKeyCIDWBTJORPJQTN-MRXNPFEDSA-N
MW298.41 g/mol
LogP4.03
Rot. Bonds6

About (3R)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-3-ylpropan-1-amine

(3R)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 135145345) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is (3R)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-3-ylpropan-1-amine
PubChem CID135145345
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name(3R)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc2ccncc12)c1ccsc1
InChIInChI=1S/C17H18N2OS/c1-18-8-6-16(14-7-10-21-12-14)20-17-4-2-3-13-5-9-19-11-15(13)17/h2-5,7,9-12,16,18H,6,8H2,1H3/t16-/m1/s1
InChIKeyCIDWBTJORPJQTN-MRXNPFEDSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-3-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of (3R)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-3-ylpropan-1-amine (CID 135145345) is (3R)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for (3R)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for (3R)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-3-ylpropan-1-amine is CNCC[C@@H](Oc1cccc2ccncc12)c1ccsc1.
What is the InChIKey of (3R)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is CIDWBTJORPJQTN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-18-8-6-16(14-7-10-21-12-14)20-17-4-2-3-13-5-9-19-11-15(13)17/h2-5,7,9-12,16,18H,6,8H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-3-ylpropan-1-amine?
(3R)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 298.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 135145345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).