4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline

C9H10FN5 — CID 69215565

IUPAC4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
SMILESCn1nnc(CNc2ccc(F)cc2)n1
InChIInChI=1S/C9H10FN5/c1-15-13-9(12-14-15)6-11-8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3
InChIKeyWBGGPEUDQVFULB-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.96
Rot. Bonds3

About 4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline

4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline (PubChem CID 69215565) has the molecular formula C9H10FN5 and a molecular weight of 207.21 g/mol. Its IUPAC name is 4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
PubChem CID69215565
Molecular FormulaC9H10FN5
Molecular Weight207.21 g/mol
Exact Mass207.09
IUPAC Name4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
SMILESCn1nnc(CNc2ccc(F)cc2)n1
InChIInChI=1S/C9H10FN5/c1-15-13-9(12-14-15)6-11-8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3
InChIKeyWBGGPEUDQVFULB-UHFFFAOYSA-N
XLogP0.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042078
3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 69431441
3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107364765
1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042414
2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042537
N-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 130870036
N-[(1-tert-butyltriazol-4-yl)methyl]-4-fluoroaniline
CID 103398542
2,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 68880752
3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042351
1-(2-bromo-5-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 146103858
2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052945
2,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042005

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The IUPAC name of 4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline (CID 69215565) is 4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline is Cn1nnc(CNc2ccc(F)cc2)n1.
What is the InChIKey of 4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The InChIKey is WBGGPEUDQVFULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5/c1-15-13-9(12-14-15)6-11-8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3.
What are the key properties of 4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline has a molecular weight of 207.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline is sourced from PubChem (CID 69215565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).