[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine

C10H12FN5 — CID 62761163

IUPAC[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine
SMILESCC(c1ccc(F)cc1)n1nnnc1CN
InChIInChI=1S/C10H12FN5/c1-7(8-2-4-9(11)5-3-8)16-10(6-12)13-14-15-16/h2-5,7H,6,12H2,1H3
InChIKeyMDZUEZQHKGODDL-UHFFFAOYSA-N
MW221.24 g/mol
LogP0.88
Rot. Bonds3

About [1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine

[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine (PubChem CID 62761163) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is [1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine
PubChem CID62761163
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine
SMILESCC(c1ccc(F)cc1)n1nnnc1CN
InChIInChI=1S/C10H12FN5/c1-7(8-2-4-9(11)5-3-8)16-10(6-12)13-14-15-16/h2-5,7H,6,12H2,1H3
InChIKeyMDZUEZQHKGODDL-UHFFFAOYSA-N
XLogP0.88
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine
CID 82228413
N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085762
1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine
CID 66242844
N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62762234
N-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62762591
2-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine
CID 16785348
N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62762587
1-(1-phenylethyl)tetrazol-5-amine
CID 19981424
3-(4-fluorophenyl)-2-methylbutan-1-amine
CID 81010865
[1-(2-phenylpropyl)tetrazol-5-yl]methanamine
CID 104592309
3-[1-(4-fluorophenyl)ethyl]benzotriazole-5-carboxylic acid
CID 82769849
2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid
CID 82225898

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine?
The IUPAC name of [1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine (CID 62761163) is [1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine?
The canonical SMILES for [1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine is CC(c1ccc(F)cc1)n1nnnc1CN.
What is the InChIKey of [1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine?
The InChIKey is MDZUEZQHKGODDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-7(8-2-4-9(11)5-3-8)16-10(6-12)13-14-15-16/h2-5,7H,6,12H2,1H3.
What are the key properties of [1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine?
[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine has a molecular weight of 221.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine is sourced from PubChem (CID 62761163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).