3-fluoro-2-methyl-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline

C15H22FN5 — CID 63925540

IUPAC3-fluoro-2-methyl-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline
SMILESCc1c(N)cc(-c2nnnn2C(C)CCC(C)C)cc1F
InChIInChI=1S/C15H22FN5/c1-9(2)5-6-10(3)21-15(18-19-20-21)12-7-13(16)11(4)14(17)8-12/h7-10H,5-6,17H2,1-4H3
InChIKeyHLCZAJLHOHGFKM-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.37
Rot. Bonds5

About 3-fluoro-2-methyl-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline

3-fluoro-2-methyl-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline (PubChem CID 63925540) has the molecular formula C15H22FN5 and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-fluoro-2-methyl-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-fluoro-2-methyl-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline
PubChem CID63925540
Molecular FormulaC15H22FN5
Molecular Weight291.37 g/mol
Exact Mass291.19
IUPAC Name3-fluoro-2-methyl-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline
SMILESCc1c(N)cc(-c2nnnn2C(C)CCC(C)C)cc1F
InChIInChI=1S/C15H22FN5/c1-9(2)5-6-10(3)21-15(18-19-20-21)12-7-13(16)11(4)14(17)8-12/h7-10H,5-6,17H2,1-4H3
InChIKeyHLCZAJLHOHGFKM-UHFFFAOYSA-N
XLogP3.37
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.37
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

3-methoxy-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline
CID 81102574
2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline
CID 62198986
3-methyl-4-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline
CID 63925147
2-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline
CID 61351832
2-bromo-5-(1-pentan-2-yltetrazol-5-yl)aniline
CID 61354055
3-fluoro-5-[1-(2-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 61376560
3-methoxy-2-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline
CID 81397001
2-chloro-4-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline
CID 82786109
4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine
CID 12919379
2,3-dichloro-5-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]aniline
CID 64641722
5-bromo-3-[1-(4-methoxybutan-2-yl)tetrazol-5-yl]-2-methylaniline
CID 107874013
4-fluoro-3-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline
CID 103298101

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline?
The IUPAC name of 3-fluoro-2-methyl-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline (CID 63925540) is 3-fluoro-2-methyl-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-fluoro-2-methyl-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-fluoro-2-methyl-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline is Cc1c(N)cc(-c2nnnn2C(C)CCC(C)C)cc1F.
What is the InChIKey of 3-fluoro-2-methyl-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline?
The InChIKey is HLCZAJLHOHGFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5/c1-9(2)5-6-10(3)21-15(18-19-20-21)12-7-13(16)11(4)14(17)8-12/h7-10H,5-6,17H2,1-4H3.
What are the key properties of 3-fluoro-2-methyl-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline?
3-fluoro-2-methyl-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline has a molecular weight of 291.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 63925540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).