2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine

C10H12FN5 — CID 61375590

IUPAC2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine
SMILESCc1cc(-c2nnnn2CCN)ccc1F
InChIInChI=1S/C10H12FN5/c1-7-6-8(2-3-9(7)11)10-13-14-15-16(10)5-4-12/h2-3,6H,4-5,12H2,1H3
InChIKeyNRUUDKQIZFGHAH-UHFFFAOYSA-N
MW221.24 g/mol
LogP0.75
Rot. Bonds3

About 2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine

2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine (PubChem CID 61375590) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine
PubChem CID61375590
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine
SMILESCc1cc(-c2nnnn2CCN)ccc1F
InChIInChI=1S/C10H12FN5/c1-7-6-8(2-3-9(7)11)10-13-14-15-16(10)5-4-12/h2-3,6H,4-5,12H2,1H3
InChIKeyNRUUDKQIZFGHAH-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine 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

2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine
CID 61375782
2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine
CID 107935487
3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 61375593
2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine
CID 83558388
4-[5-(3,4-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84758956
3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine
CID 84758929
5-(1-butyltetrazol-5-yl)-2-methylaniline
CID 61351684
4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182232
3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine
CID 61374258
2-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]ethanamine
CID 79713126
5-(3,4-difluorophenyl)-1-prop-2-ynyltetrazole
CID 84759999
2-methyl-5-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]aniline
CID 115521931

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine (CID 61375590) is 2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine is Cc1cc(-c2nnnn2CCN)ccc1F.
What is the InChIKey of 2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine?
The InChIKey is NRUUDKQIZFGHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-7-6-8(2-3-9(7)11)10-13-14-15-16(10)5-4-12/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine?
2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine has a molecular weight of 221.24 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine is sourced from PubChem (CID 61375590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).