2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine

C11H14FN5 — CID 107042037

IUPAC2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
SMILESCn1nnc(CNCCc2ccccc2F)n1
InChIInChI=1S/C11H14FN5/c1-17-15-11(14-16-17)8-13-7-6-9-4-2-3-5-10(9)12/h2-5,13H,6-8H2,1H3
InChIKeyVUGFFMKZZGTMBT-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.68
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine

2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine (PubChem CID 107042037) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
PubChem CID107042037
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
SMILESCn1nnc(CNCCc2ccccc2F)n1
InChIInChI=1S/C11H14FN5/c1-17-15-11(14-16-17)8-13-7-6-9-4-2-3-5-10(9)12/h2-5,13H,6-8H2,1H3
InChIKeyVUGFFMKZZGTMBT-UHFFFAOYSA-N
XLogP0.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.68
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

2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042414
1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047726
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053035
N-[(2-methyltetrazol-5-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 107042355
N-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 107041645
ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
CID 155737119
N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine
CID 115227243
2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine
CID 124808324
2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 62748309
2-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723813
N-[[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
CID 55109484

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine (CID 107042037) is 2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine is Cn1nnc(CNCCc2ccccc2F)n1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The InChIKey is VUGFFMKZZGTMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-17-15-11(14-16-17)8-13-7-6-9-4-2-3-5-10(9)12/h2-5,13H,6-8H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine has a molecular weight of 235.27 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 107042037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).