N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine

C12H16FN5 — CID 107049108

IUPACN-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)c1ccccc1F
InChIInChI=1S/C12H16FN5/c1-3-14-11(8-12-15-17-18(2)16-12)9-6-4-5-7-10(9)13/h4-7,11,14H,3,8H2,1-2H3
InChIKeySIZQXPOGQSSIOA-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.24
Rot. Bonds5

About N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine

N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107049108) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107049108
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC NameN-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)c1ccccc1F
InChIInChI=1S/C12H16FN5/c1-3-14-11(8-12-15-17-18(2)16-12)9-6-4-5-7-10(9)13/h4-7,11,14H,3,8H2,1-2H3
InChIKeySIZQXPOGQSSIOA-UHFFFAOYSA-N
XLogP1.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048584
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049322
1-(2,3-dimethylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064894
N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050491
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065274
N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051307
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107996069
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107996077
1-(2,4-dibromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107947182
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065389
1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048532
1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050582

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine (CID 107049108) is N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine is CCNC(Cc1nnn(C)n1)c1ccccc1F.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is SIZQXPOGQSSIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-3-14-11(8-12-15-17-18(2)16-12)9-6-4-5-7-10(9)13/h4-7,11,14H,3,8H2,1-2H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine?
N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 249.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107049108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).