3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline

C15H14FN5 — CID 103298118

IUPAC3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline
SMILESCc1cc(N)cc(-c2nnnn2Cc2ccccc2)c1F
InChIInChI=1S/C15H14FN5/c1-10-7-12(17)8-13(14(10)16)15-18-19-20-21(15)9-11-5-3-2-4-6-11/h2-8H,9,17H2,1H3
InChIKeyFKGRCYDKTGGMBH-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.42
Rot. Bonds3

About 3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline

3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline (PubChem CID 103298118) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline.

Molecular Properties

Compound Name3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline
PubChem CID103298118
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline
SMILESCc1cc(N)cc(-c2nnnn2Cc2ccccc2)c1F
InChIInChI=1S/C15H14FN5/c1-10-7-12(17)8-13(14(10)16)15-18-19-20-21(15)9-11-5-3-2-4-6-11/h2-8H,9,17H2,1H3
InChIKeyFKGRCYDKTGGMBH-UHFFFAOYSA-N
XLogP2.42
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-5-(2,3-difluorophenyl)tetrazole
CID 11543614
4-fluoro-3-methyl-5-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]aniline
CID 103298205
3-(1-benzyltetrazol-5-yl)-2-methylaniline
CID 61353888
4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline
CID 103298122
4-fluoro-3-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline
CID 103298101
4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
CID 61378736
5-(1-benzyltetrazol-5-yl)-2-bromoaniline
CID 61354077
[4-(1-benzyltetrazol-5-yl)phenyl]methanamine
CID 82228443
5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]-2-methylaniline
CID 61376820
4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
CID 61352207
1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole
CID 11673524
5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
CID 61378704

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline?
The IUPAC name of 3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline (CID 103298118) is 3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline.
What is the SMILES notation for 3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline?
The canonical SMILES for 3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline is Cc1cc(N)cc(-c2nnnn2Cc2ccccc2)c1F.
What is the InChIKey of 3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline?
The InChIKey is FKGRCYDKTGGMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-10-7-12(17)8-13(14(10)16)15-18-19-20-21(15)9-11-5-3-2-4-6-11/h2-8H,9,17H2,1H3.
What are the key properties of 3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline?
3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline has a molecular weight of 283.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline is sourced from PubChem (CID 103298118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).