1-(2,4-difluorophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine

C13H17F2N5 — CID 134001706

IUPAC1-(2,4-difluorophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine
SMILESCCCn1nnnc1CN(C)Cc1ccc(F)cc1F
InChIInChI=1S/C13H17F2N5/c1-3-6-20-13(16-17-18-20)9-19(2)8-10-4-5-11(14)7-12(10)15/h4-5,7H,3,6,8-9H2,1-2H3
InChIKeyRSQLGJNRICYDNP-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.99
Rot. Bonds6

About 1-(2,4-difluorophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine

1-(2,4-difluorophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine (PubChem CID 134001706) has the molecular formula C13H17F2N5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine
PubChem CID134001706
Molecular FormulaC13H17F2N5
Molecular Weight281.31 g/mol
Exact Mass281.15
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine
SMILESCCCn1nnnc1CN(C)Cc1ccc(F)cc1F
InChIInChI=1S/C13H17F2N5/c1-3-6-20-13(16-17-18-20)9-19(2)8-10-4-5-11(14)7-12(10)15/h4-5,7H,3,6,8-9H2,1-2H3
InChIKeyRSQLGJNRICYDNP-UHFFFAOYSA-N
XLogP1.99
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-difluorophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine (CID 134001706) is 1-(2,4-difluorophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine is CCCn1nnnc1CN(C)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine?
The InChIKey is RSQLGJNRICYDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N5/c1-3-6-20-13(16-17-18-20)9-19(2)8-10-4-5-11(14)7-12(10)15/h4-5,7H,3,6,8-9H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine?
1-(2,4-difluorophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine has a molecular weight of 281.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 134001706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).