N-[(4-fluorophenyl)methyl]-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine

C18H20FN3OS — CID 137466355

IUPACN-[(4-fluorophenyl)methyl]-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
SMILESCn1nccc1C(OCCNCc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H20FN3OS/c1-22-16(8-9-21-22)18(17-3-2-12-24-17)23-11-10-20-13-14-4-6-15(19)7-5-14/h2-9,12,18,20H,10-11,13H2,1H3
InChIKeyQHDKPBVMCJSYFH-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.52
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine

N-[(4-fluorophenyl)methyl]-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine (PubChem CID 137466355) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
PubChem CID137466355
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
SMILESCn1nccc1C(OCCNCc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H20FN3OS/c1-22-16(8-9-21-22)18(17-3-2-12-24-17)23-11-10-20-13-14-4-6-15(19)7-5-14/h2-9,12,18,20H,10-11,13H2,1H3
InChIKeyQHDKPBVMCJSYFH-UHFFFAOYSA-N
XLogP3.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-fluorophenyl)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

Related Compounds

Dilopetine
CID 9816767
N-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine
CID 121429654
N-benzyl-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
CID 121429757
1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 118743264
1-[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 118746273
Dilopetine, (S)-
CID 9813942
2-[1-[5-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethylamino]-1-phenylethanol
CID 69704770
(2S,3S,5R)-2-(3-fluorothiophen-2-yl)-5-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
CID 117803907
N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
CID 121417924
1-(3-fluorophenyl)-N-methyl-3-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]propan-2-amine
CID 121417956
N-[(3-fluorophenyl)methyl]-1-[(2-methylpyrazol-3-yl)-phenylmethoxy]propan-2-amine
CID 121417960
4-(4-Fluorophenyl)-3-[(2-methylpyrazol-3-yl)-phenylmethoxy]butan-2-amine
CID 121417972

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine (CID 137466355) is N-[(4-fluorophenyl)methyl]-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine is Cn1nccc1C(OCCNCc1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine?
The InChIKey is QHDKPBVMCJSYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-22-16(8-9-21-22)18(17-3-2-12-24-17)23-11-10-20-13-14-4-6-15(19)7-5-14/h2-9,12,18,20H,10-11,13H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine?
N-[(4-fluorophenyl)methyl]-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine has a molecular weight of 345.44 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine is sourced from PubChem (CID 137466355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).