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

C10H12FN5 — CID 103085965

IUPAC1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
SMILESCc1c(F)cccc1-n1nnnc1C(C)N
InChIInChI=1S/C10H12FN5/c1-6-8(11)4-3-5-9(6)16-10(7(2)12)13-14-15-16/h3-5,7H,12H2,1-2H3
InChIKeyKGTBFCHOSFVGKN-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.13
Rot. Bonds2

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

1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine (PubChem CID 103085965) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
PubChem CID103085965
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
SMILESCc1c(F)cccc1-n1nnnc1C(C)N
InChIInChI=1S/C10H12FN5/c1-6-8(11)4-3-5-9(6)16-10(7(2)12)13-14-15-16/h3-5,7H,12H2,1-2H3
InChIKeyKGTBFCHOSFVGKN-UHFFFAOYSA-N
XLogP1.13
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 82227906
1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
CID 103084945
N-[[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55109541
1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine
CID 103085118
1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine
CID 79508411
1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine
CID 103086014
N-[1-[1-(2,3-difluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085956
1-(2-bromo-3-methylphenyl)-5-(1-chloroethyl)tetrazole
CID 103084623
1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride
CID 122714845
2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 63546689
1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine
CID 103084958
1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084917

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine?
The IUPAC name of 1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine (CID 103085965) is 1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine is Cc1c(F)cccc1-n1nnnc1C(C)N.
What is the InChIKey of 1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine?
The InChIKey is KGTBFCHOSFVGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-6-8(11)4-3-5-9(6)16-10(7(2)12)13-14-15-16/h3-5,7H,12H2,1-2H3.
What are the key properties of 1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine?
1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine has a molecular weight of 221.24 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103085965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).