3-(2,5-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine

C12H15F2N5 — CID 59614699

IUPAC3-(2,5-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
SMILESCNCCC(c1cc(F)ccc1F)n1nnc(C)n1
InChIInChI=1S/C12H15F2N5/c1-8-16-18-19(17-8)12(5-6-15-2)10-7-9(13)3-4-11(10)14/h3-4,7,12,15H,5-6H2,1-2H3
InChIKeyRIYRNUFCHAZVPX-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.46
Rot. Bonds5

About 3-(2,5-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine

3-(2,5-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine (PubChem CID 59614699) has the molecular formula C12H15F2N5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
PubChem CID59614699
Molecular FormulaC12H15F2N5
Molecular Weight267.28 g/mol
Exact Mass267.13
IUPAC Name3-(2,5-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
SMILESCNCCC(c1cc(F)ccc1F)n1nnc(C)n1
InChIInChI=1S/C12H15F2N5/c1-8-16-18-19(17-8)12(5-6-15-2)10-7-9(13)3-4-11(10)14/h3-4,7,12,15H,5-6H2,1-2H3
InChIKeyRIYRNUFCHAZVPX-UHFFFAOYSA-N
XLogP1.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine?
The IUPAC name of 3-(2,5-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine (CID 59614699) is 3-(2,5-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine is CNCCC(c1cc(F)ccc1F)n1nnc(C)n1.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine?
The InChIKey is RIYRNUFCHAZVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5/c1-8-16-18-19(17-8)12(5-6-15-2)10-7-9(13)3-4-11(10)14/h3-4,7,12,15H,5-6H2,1-2H3.
What are the key properties of 3-(2,5-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine?
3-(2,5-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine has a molecular weight of 267.28 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine is sourced from PubChem (CID 59614699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).