3-(4-chlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine

C11H14ClN5 — CID 44540992

IUPAC3-(4-chlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
SMILESCNCCC(c1ccc(Cl)cc1)n1ncnn1
InChIInChI=1S/C11H14ClN5/c1-13-7-6-11(17-15-8-14-16-17)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3
InChIKeyZETREDFPVNTUBS-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.53
Rot. Bonds5

About 3-(4-chlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine

3-(4-chlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine (PubChem CID 44540992) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
PubChem CID44540992
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name3-(4-chlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
SMILESCNCCC(c1ccc(Cl)cc1)n1ncnn1
InChIInChI=1S/C11H14ClN5/c1-13-7-6-11(17-15-8-14-16-17)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3
InChIKeyZETREDFPVNTUBS-UHFFFAOYSA-N
XLogP1.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine 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 3-(4-chlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine (CID 44540992) is 3-(4-chlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine is CNCCC(c1ccc(Cl)cc1)n1ncnn1.
What is the InChIKey of 3-(4-chlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine?
The InChIKey is ZETREDFPVNTUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-13-7-6-11(17-15-8-14-16-17)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine?
3-(4-chlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine has a molecular weight of 251.72 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine is sourced from PubChem (CID 44540992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).