N-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine

C14H19FN4O2 — CID 107697021

IUPACN-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(F)ccc1OCc1nncn1C
InChIInChI=1S/C14H19FN4O2/c1-19-10-17-18-14(19)9-21-13-4-3-12(15)7-11(13)8-16-5-6-20-2/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyHGSQGOYMPJOTGM-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.27
Rot. Bonds8

About N-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine

N-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine (PubChem CID 107697021) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
PubChem CID107697021
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC NameN-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(F)ccc1OCc1nncn1C
InChIInChI=1S/C14H19FN4O2/c1-19-10-17-18-14(19)9-21-13-4-3-12(15)7-11(13)8-16-5-6-20-2/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyHGSQGOYMPJOTGM-UHFFFAOYSA-N
XLogP1.27
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 107696935
N-[[5-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107696919
N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine
CID 107696956
N-[[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107697144
N-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107696982
N-[[5-fluoro-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107696997
N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332710
1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107697135
N-[[5-fluoro-2-(2-methoxypropoxy)phenyl]methyl]-2-methoxyethanamine
CID 107697107
5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol
CID 107696990
4-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]butanenitrile
CID 107696907
N-[[2-(3-ethylsulfanylpropoxy)-5-fluorophenyl]methyl]-2-methoxyethanamine
CID 107696885

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine (CID 107697021) is N-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine is COCCNCc1cc(F)ccc1OCc1nncn1C.
What is the InChIKey of N-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The InChIKey is HGSQGOYMPJOTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-19-10-17-18-14(19)9-21-13-4-3-12(15)7-11(13)8-16-5-6-20-2/h3-4,7,10,16H,5-6,8-9H2,1-2H3.
What are the key properties of N-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
N-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine has a molecular weight of 294.33 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 107697021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).