1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

C11H13ClFN5 — CID 107049049

IUPAC1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)c1ccc(F)cc1Cl
InChIInChI=1S/C11H13ClFN5/c1-14-10(6-11-15-17-18(2)16-11)8-4-3-7(13)5-9(8)12/h3-5,10,14H,6H2,1-2H3
InChIKeyJEQXORHOHBKCJP-UHFFFAOYSA-N
MW269.71 g/mol
LogP1.51
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107049049) has the molecular formula C11H13ClFN5 and a molecular weight of 269.71 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107049049
Molecular FormulaC11H13ClFN5
Molecular Weight269.71 g/mol
Exact Mass269.08
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)c1ccc(F)cc1Cl
InChIInChI=1S/C11H13ClFN5/c1-14-10(6-11-15-17-18(2)16-11)8-4-3-7(13)5-9(8)12/h3-5,10,14H,6H2,1-2H3
InChIKeyJEQXORHOHBKCJP-UHFFFAOYSA-N
XLogP1.51
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (CID 107049049) is 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is CNC(Cc1nnn(C)n1)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is JEQXORHOHBKCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN5/c1-14-10(6-11-15-17-18(2)16-11)8-4-3-7(13)5-9(8)12/h3-5,10,14H,6H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 269.71 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107049049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).