1-(2-chloro-6-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine

C12H15ClFN5 — CID 107049059

IUPAC1-(2-chloro-6-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCNC(Cc1nnn(C)n1)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFN5/c1-15-8(7-12-16-18-19(2)17-12)6-9-10(13)4-3-5-11(9)14/h3-5,8,15H,6-7H2,1-2H3
InChIKeySEVTZBNTOBYYOU-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.38
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine

1-(2-chloro-6-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107049059) has the molecular formula C12H15ClFN5 and a molecular weight of 283.74 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107049059
Molecular FormulaC12H15ClFN5
Molecular Weight283.74 g/mol
Exact Mass283.10
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCNC(Cc1nnn(C)n1)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFN5/c1-15-8(7-12-16-18-19(2)17-12)6-9-10(13)4-3-5-11(9)14/h3-5,8,15H,6-7H2,1-2H3
InChIKeySEVTZBNTOBYYOU-UHFFFAOYSA-N
XLogP1.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107049059) is 1-(2-chloro-6-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine is CNC(Cc1nnn(C)n1)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is SEVTZBNTOBYYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN5/c1-15-8(7-12-16-18-19(2)17-12)6-9-10(13)4-3-5-11(9)14/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
1-(2-chloro-6-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 283.74 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107049059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).