2-(5-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine

C15H18FNOS — CID 83974816

IUPAC2-(5-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
SMILESCOc1ccc(F)cc1C(CN)Cc1sccc1C
InChIInChI=1S/C15H18FNOS/c1-10-5-6-19-15(10)7-11(9-17)13-8-12(16)3-4-14(13)18-2/h3-6,8,11H,7,9,17H2,1-2H3
InChIKeyPTTRCHXFLHYHCE-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.49
Rot. Bonds5

About 2-(5-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine

2-(5-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine (PubChem CID 83974816) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
PubChem CID83974816
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
SMILESCOc1ccc(F)cc1C(CN)Cc1sccc1C
InChIInChI=1S/C15H18FNOS/c1-10-5-6-19-15(10)7-11(9-17)13-8-12(16)3-4-14(13)18-2/h3-6,8,11H,7,9,17H2,1-2H3
InChIKeyPTTRCHXFLHYHCE-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)propan-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 2-(5-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine (CID 83974816) is 2-(5-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine is COc1ccc(F)cc1C(CN)Cc1sccc1C.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine?
The InChIKey is PTTRCHXFLHYHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-10-5-6-19-15(10)7-11(9-17)13-8-12(16)3-4-14(13)18-2/h3-6,8,11H,7,9,17H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine?
2-(5-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 83974816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).