N-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine

C13H18FN5O2 — CID 107041645

IUPACN-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(F)c1OCc1nnn(C)n1
InChIInChI=1S/C13H18FN5O2/c1-19-17-12(16-18-19)9-21-13-10(4-3-5-11(13)14)8-15-6-7-20-2/h3-5,15H,6-9H2,1-2H3
InChIKeyRCKXOYAWPNZMTD-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.66
Rot. Bonds8

About N-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine

N-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine (PubChem CID 107041645) has the molecular formula C13H18FN5O2 and a molecular weight of 295.32 g/mol. Its IUPAC name is N-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
PubChem CID107041645
Molecular FormulaC13H18FN5O2
Molecular Weight295.32 g/mol
Exact Mass295.14
IUPAC NameN-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(F)c1OCc1nnn(C)n1
InChIInChI=1S/C13H18FN5O2/c1-19-17-12(16-18-19)9-21-13-10(4-3-5-11(13)14)8-15-6-7-20-2/h3-5,15H,6-9H2,1-2H3
InChIKeyRCKXOYAWPNZMTD-UHFFFAOYSA-N
XLogP0.66
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041629
N-[[5-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 107696935
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
CID 112610838
N-[[3-fluoro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115955450
N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041605
N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 112610863
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610885
2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042037
N-[[3-fluoro-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115955370
N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 107041124
N-[(2-methyltetrazol-5-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 107042355
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 112610886

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine (CID 107041645) is N-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine is COCCNCc1cccc(F)c1OCc1nnn(C)n1.
What is the InChIKey of N-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The InChIKey is RCKXOYAWPNZMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5O2/c1-19-17-12(16-18-19)9-21-13-10(4-3-5-11(13)14)8-15-6-7-20-2/h3-5,15H,6-9H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
N-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine has a molecular weight of 295.32 g/mol, XLogP of 0.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 107041645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).