N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)aniline

C15H14FN5 — CID 43426227

IUPACN-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)aniline
SMILESCc1cc(NCc2ccccc2F)ccc1-n1cnnn1
InChIInChI=1S/C15H14FN5/c1-11-8-13(6-7-15(11)21-10-18-19-20-21)17-9-12-4-2-3-5-14(12)16/h2-8,10,17H,9H2,1H3
InChIKeyVHJQHTNYPIQRIK-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.72
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)aniline

N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)aniline (PubChem CID 43426227) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)aniline
PubChem CID43426227
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC NameN-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)aniline
SMILESCc1cc(NCc2ccccc2F)ccc1-n1cnnn1
InChIInChI=1S/C15H14FN5/c1-11-8-13(6-7-15(11)21-10-18-19-20-21)17-9-12-4-2-3-5-14(12)16/h2-8,10,17H,9H2,1H3
InChIKeyVHJQHTNYPIQRIK-UHFFFAOYSA-N
XLogP2.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)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 N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)aniline (CID 43426227) is N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)aniline is Cc1cc(NCc2ccccc2F)ccc1-n1cnnn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)aniline?
The InChIKey is VHJQHTNYPIQRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-11-8-13(6-7-15(11)21-10-18-19-20-21)17-9-12-4-2-3-5-14(12)16/h2-8,10,17H,9H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)aniline?
N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)aniline has a molecular weight of 283.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43426227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).