3-methyl-3-(3-naphthalen-1-yloxythiophen-2-yl)butan-1-amine

C19H21NOS — CID 69262729

IUPAC3-methyl-3-(3-naphthalen-1-yloxythiophen-2-yl)butan-1-amine
SMILESCC(C)(CCN)c1sccc1Oc1cccc2ccccc12
InChIInChI=1S/C19H21NOS/c1-19(2,11-12-20)18-17(10-13-22-18)21-16-9-5-7-14-6-3-4-8-15(14)16/h3-10,13H,11-12,20H2,1-2H3
InChIKeyLQBBQCTXCBJAEG-UHFFFAOYSA-N
MW311.45 g/mol
LogP5.32
Rot. Bonds5

About 3-methyl-3-(3-naphthalen-1-yloxythiophen-2-yl)butan-1-amine

3-methyl-3-(3-naphthalen-1-yloxythiophen-2-yl)butan-1-amine (PubChem CID 69262729) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-methyl-3-(3-naphthalen-1-yloxythiophen-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(3-naphthalen-1-yloxythiophen-2-yl)butan-1-amine
PubChem CID69262729
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC Name3-methyl-3-(3-naphthalen-1-yloxythiophen-2-yl)butan-1-amine
SMILESCC(C)(CCN)c1sccc1Oc1cccc2ccccc12
InChIInChI=1S/C19H21NOS/c1-19(2,11-12-20)18-17(10-13-22-18)21-16-9-5-7-14-6-3-4-8-15(14)16/h3-10,13H,11-12,20H2,1-2H3
InChIKeyLQBBQCTXCBJAEG-UHFFFAOYSA-N
XLogP5.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.45
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-3-(3-naphthalen-1-yloxythiophen-2-yl)butan-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 3-methyl-3-(3-naphthalen-1-yloxythiophen-2-yl)butan-1-amine?
The IUPAC name of 3-methyl-3-(3-naphthalen-1-yloxythiophen-2-yl)butan-1-amine (CID 69262729) is 3-methyl-3-(3-naphthalen-1-yloxythiophen-2-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-3-(3-naphthalen-1-yloxythiophen-2-yl)butan-1-amine?
The canonical SMILES for 3-methyl-3-(3-naphthalen-1-yloxythiophen-2-yl)butan-1-amine is CC(C)(CCN)c1sccc1Oc1cccc2ccccc12.
What is the InChIKey of 3-methyl-3-(3-naphthalen-1-yloxythiophen-2-yl)butan-1-amine?
The InChIKey is LQBBQCTXCBJAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS/c1-19(2,11-12-20)18-17(10-13-22-18)21-16-9-5-7-14-6-3-4-8-15(14)16/h3-10,13H,11-12,20H2,1-2H3.
What are the key properties of 3-methyl-3-(3-naphthalen-1-yloxythiophen-2-yl)butan-1-amine?
3-methyl-3-(3-naphthalen-1-yloxythiophen-2-yl)butan-1-amine has a molecular weight of 311.45 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-naphthalen-1-yloxythiophen-2-yl)butan-1-amine is sourced from PubChem (CID 69262729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).