N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine

C20H24FN3OS — CID 121429657

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine
SMILESCc1ccsc1C(OCCN(C)Cc1cccc(F)c1)c1ccnn1C
InChIInChI=1S/C20H24FN3OS/c1-15-8-12-26-20(15)19(18-7-9-22-24(18)3)25-11-10-23(2)14-16-5-4-6-17(21)13-16/h4-9,12-13,19H,10-11,14H2,1-3H3
InChIKeyYVSDNFCMNOVDGA-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.17
Rot. Bonds8

About N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine

N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine (PubChem CID 121429657) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine
PubChem CID121429657
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine
SMILESCc1ccsc1C(OCCN(C)Cc1cccc(F)c1)c1ccnn1C
InChIInChI=1S/C20H24FN3OS/c1-15-8-12-26-20(15)19(18-7-9-22-24(18)3)25-11-10-23(2)14-16-5-4-6-17(21)13-16/h4-9,12-13,19H,10-11,14H2,1-3H3
InChIKeyYVSDNFCMNOVDGA-UHFFFAOYSA-N
XLogP4.17
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine (CID 121429657) is N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine is Cc1ccsc1C(OCCN(C)Cc1cccc(F)c1)c1ccnn1C.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine?
The InChIKey is YVSDNFCMNOVDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OS/c1-15-8-12-26-20(15)19(18-7-9-22-24(18)3)25-11-10-23(2)14-16-5-4-6-17(21)13-16/h4-9,12-13,19H,10-11,14H2,1-3H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine?
N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine has a molecular weight of 373.50 g/mol, XLogP of 4.17, 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)-(3-methylthiophen-2-yl)methoxy]ethanamine is sourced from PubChem (CID 121429657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).