N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine

C19H22FN3OS — CID 121417924

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
SMILESCN(CCOC(c1cccs1)c1ccnn1C)Cc1cccc(F)c1
InChIInChI=1S/C19H22FN3OS/c1-22(14-15-5-3-6-16(20)13-15)10-11-24-19(18-7-4-12-25-18)17-8-9-21-23(17)2/h3-9,12-13,19H,10-11,14H2,1-2H3
InChIKeyBRNAJELGSUGAOT-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.86
Rot. Bonds8

About N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine

N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine (PubChem CID 121417924) has the molecular formula C19H22FN3OS and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
PubChem CID121417924
Molecular FormulaC19H22FN3OS
Molecular Weight359.47 g/mol
Exact Mass359.15
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
SMILESCN(CCOC(c1cccs1)c1ccnn1C)Cc1cccc(F)c1
InChIInChI=1S/C19H22FN3OS/c1-22(14-15-5-3-6-16(20)13-15)10-11-24-19(18-7-4-12-25-18)17-8-9-21-23(17)2/h3-9,12-13,19H,10-11,14H2,1-2H3
InChIKeyBRNAJELGSUGAOT-UHFFFAOYSA-N
XLogP3.86
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine 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 N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine (CID 121417924) is N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine is CN(CCOC(c1cccs1)c1ccnn1C)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine?
The InChIKey is BRNAJELGSUGAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3OS/c1-22(14-15-5-3-6-16(20)13-15)10-11-24-19(18-7-4-12-25-18)17-8-9-21-23(17)2/h3-9,12-13,19H,10-11,14H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine?
N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine has a molecular weight of 359.47 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine is sourced from PubChem (CID 121417924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).