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

C14H20FN5 — CID 62994621

IUPACN-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1C(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FN5/c1-3-8-16-10-14-17-18-19-20(14)11(2)9-12-4-6-13(15)7-5-12/h4-7,11,16H,3,8-10H2,1-2H3
InChIKeyBRXOAYFNPXOMQF-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.12
Rot. Bonds7

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

N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 62994621) has the molecular formula C14H20FN5 and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]propan-1-amine
PubChem CID62994621
Molecular FormulaC14H20FN5
Molecular Weight277.35 g/mol
Exact Mass277.17
IUPAC NameN-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1C(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FN5/c1-3-8-16-10-14-17-18-19-20(14)11(2)9-12-4-6-13(15)7-5-12/h4-7,11,16H,3,8-10H2,1-2H3
InChIKeyBRXOAYFNPXOMQF-UHFFFAOYSA-N
XLogP2.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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]-2-methoxyethanamine
CID 62994447
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 55109003
N-[[1-(1-thiophen-3-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 62763674
N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62735534
N-[[1-(1-thiophen-2-ylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 63292400
N-[(1-heptan-2-yltetrazol-5-yl)methyl]ethanamine
CID 62761889
N-[[1-(2-methoxyphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62737927
N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62763326
N-[[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
CID 62761167
N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63888318
N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 62761353
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]propan-1-amine (CID 62994621) is N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]propan-1-amine is CCCNCc1nnnn1C(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is BRXOAYFNPXOMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5/c1-3-8-16-10-14-17-18-19-20(14)11(2)9-12-4-6-13(15)7-5-12/h4-7,11,16H,3,8-10H2,1-2H3.
What are the key properties of N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]propan-1-amine?
N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 277.35 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62994621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).