N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine

C14H20FN5O — CID 62994447

IUPACN-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnnn1C(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FN5O/c1-11(9-12-3-5-13(15)6-4-12)20-14(17-18-19-20)10-16-7-8-21-2/h3-6,11,16H,7-10H2,1-2H3
InChIKeyVDSSKMPMGIKINE-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.35
Rot. Bonds8

About N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine

N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 62994447) has the molecular formula C14H20FN5O and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID62994447
Molecular FormulaC14H20FN5O
Molecular Weight293.35 g/mol
Exact Mass293.17
IUPAC NameN-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnnn1C(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FN5O/c1-11(9-12-3-5-13(15)6-4-12)20-14(17-18-19-20)10-16-7-8-21-2/h3-6,11,16H,7-10H2,1-2H3
InChIKeyVDSSKMPMGIKINE-UHFFFAOYSA-N
XLogP1.35
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.35
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-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]propan-1-amine
CID 62994621
N-[[1-(2,2-difluoroethyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 115408738
N-[[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107639463
N-[[1-(1-thiophen-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 62763674
N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107853826
N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 55109241
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 62720076
N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 66146924
N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62737942
2-cyclopropyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 104819419
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 63292400

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine (CID 62994447) is N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1nnnn1C(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is VDSSKMPMGIKINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5O/c1-11(9-12-3-5-13(15)6-4-12)20-14(17-18-19-20)10-16-7-8-21-2/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine?
N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 293.35 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62994447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).