3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline

C16H16FN5 — CID 154800577

IUPAC3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline
SMILESCc1ccc(NC(C)c2nnnn2-c2ccccc2)cc1F
InChIInChI=1S/C16H16FN5/c1-11-8-9-13(10-15(11)17)18-12(2)16-19-20-21-22(16)14-6-4-3-5-7-14/h3-10,12,18H,1-2H3
InChIKeyRYSLMINVPCYFOM-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.28
Rot. Bonds4

About 3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline

3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline (PubChem CID 154800577) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline
PubChem CID154800577
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC Name3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline
SMILESCc1ccc(NC(C)c2nnnn2-c2ccccc2)cc1F
InChIInChI=1S/C16H16FN5/c1-11-8-9-13(10-15(11)17)18-12(2)16-19-20-21-22(16)14-6-4-3-5-7-14/h3-10,12,18H,1-2H3
InChIKeyRYSLMINVPCYFOM-UHFFFAOYSA-N
XLogP3.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline 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-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline?
The IUPAC name of 3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline (CID 154800577) is 3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline.
What is the SMILES notation for 3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline?
The canonical SMILES for 3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline is Cc1ccc(NC(C)c2nnnn2-c2ccccc2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline?
The InChIKey is RYSLMINVPCYFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5/c1-11-8-9-13(10-15(11)17)18-12(2)16-19-20-21-22(16)14-6-4-3-5-7-14/h3-10,12,18H,1-2H3.
What are the key properties of 3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline?
3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline has a molecular weight of 297.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 154800577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).