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

C11H13F2N5 — CID 44539864

IUPAC3-(2,5-difluorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
SMILESCNCCC(c1cc(F)ccc1F)n1ncnn1
InChIInChI=1S/C11H13F2N5/c1-14-5-4-11(18-16-7-15-17-18)9-6-8(12)2-3-10(9)13/h2-3,6-7,11,14H,4-5H2,1H3
InChIKeyFPLZQRCSFXFQPQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.15
Rot. Bonds5

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

3-(2,5-difluorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine (PubChem CID 44539864) has the molecular formula C11H13F2N5 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
PubChem CID44539864
Molecular FormulaC11H13F2N5
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-(2,5-difluorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
SMILESCNCCC(c1cc(F)ccc1F)n1ncnn1
InChIInChI=1S/C11H13F2N5/c1-14-5-4-11(18-16-7-15-17-18)9-6-8(12)2-3-10(9)13/h2-3,6-7,11,14H,4-5H2,1H3
InChIKeyFPLZQRCSFXFQPQ-UHFFFAOYSA-N
XLogP1.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.15
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-(tetrazol-2-yl)propan-1-amine?
The IUPAC name of 3-(2,5-difluorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine (CID 44539864) is 3-(2,5-difluorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine is CNCCC(c1cc(F)ccc1F)n1ncnn1.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine?
The InChIKey is FPLZQRCSFXFQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5/c1-14-5-4-11(18-16-7-15-17-18)9-6-8(12)2-3-10(9)13/h2-3,6-7,11,14H,4-5H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine?
3-(2,5-difluorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine has a molecular weight of 253.26 g/mol, XLogP of 1.15, 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-(tetrazol-2-yl)propan-1-amine is sourced from PubChem (CID 44539864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).