4-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline

C16H16FN5 — CID 43825796

IUPAC4-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline
SMILESCc1cc(F)ccc1NC(C)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H16FN5/c1-11-8-14(17)6-7-16(11)19-12(2)13-4-3-5-15(9-13)22-10-18-20-21-22/h3-10,12,19H,1-2H3
InChIKeyPVSCPBIARCIOCL-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.28
Rot. Bonds4

About 4-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline

4-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline (PubChem CID 43825796) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline
PubChem CID43825796
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC Name4-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline
SMILESCc1cc(F)ccc1NC(C)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H16FN5/c1-11-8-14(17)6-7-16(11)19-12(2)13-4-3-5-15(9-13)22-10-18-20-21-22/h3-10,12,19H,1-2H3
InChIKeyPVSCPBIARCIOCL-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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline?
The IUPAC name of 4-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline (CID 43825796) is 4-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline is Cc1cc(F)ccc1NC(C)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 4-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline?
The InChIKey is PVSCPBIARCIOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5/c1-11-8-14(17)6-7-16(11)19-12(2)13-4-3-5-15(9-13)22-10-18-20-21-22/h3-10,12,19H,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline?
4-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]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 4-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline is sourced from PubChem (CID 43825796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).