4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline

C15H22FN5 — CID 102907806

IUPAC4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline
SMILESCC(C)C(Cn1nnnc1-c1cc(F)ccc1N)C(C)C
InChIInChI=1S/C15H22FN5/c1-9(2)13(10(3)4)8-21-15(18-19-20-21)12-7-11(16)5-6-14(12)17/h5-7,9-10,13H,8,17H2,1-4H3
InChIKeyLCHIFRMYCHOVLY-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.99
Rot. Bonds5

About 4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline

4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline (PubChem CID 102907806) has the molecular formula C15H22FN5 and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline
PubChem CID102907806
Molecular FormulaC15H22FN5
Molecular Weight291.37 g/mol
Exact Mass291.19
IUPAC Name4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline
SMILESCC(C)C(Cn1nnnc1-c1cc(F)ccc1N)C(C)C
InChIInChI=1S/C15H22FN5/c1-9(2)13(10(3)4)8-21-15(18-19-20-21)12-7-11(16)5-6-14(12)17/h5-7,9-10,13H,8,17H2,1-4H3
InChIKeyLCHIFRMYCHOVLY-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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

4-chloro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline
CID 102907782
4-fluoro-2-(1-propyltetrazol-5-yl)aniline
CID 61376378
2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline
CID 61351666
5-fluoro-2-[1-(2-methoxypropyl)tetrazol-5-yl]aniline
CID 102700364
2-[1-(3-ethoxypropyl)tetrazol-5-yl]-4-fluoroaniline
CID 61378138
3-methyl-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline
CID 102907804
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-4-fluoroaniline
CID 63684284
4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline
CID 61377924
4-fluoro-2-[1-[2-(oxan-2-yl)ethyl]tetrazol-5-yl]aniline
CID 106003099
2-[1-(2-methylbutyl)tetrazol-5-yl]aniline
CID 62692080
4-fluoro-2-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]aniline
CID 61378117
4-chloro-2-[1-(3-methylbutyl)tetrazol-5-yl]aniline
CID 61351688

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline (CID 102907806) is 4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline is CC(C)C(Cn1nnnc1-c1cc(F)ccc1N)C(C)C.
What is the InChIKey of 4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline?
The InChIKey is LCHIFRMYCHOVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5/c1-9(2)13(10(3)4)8-21-15(18-19-20-21)12-7-11(16)5-6-14(12)17/h5-7,9-10,13H,8,17H2,1-4H3.
What are the key properties of 4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline?
4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline has a molecular weight of 291.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 102907806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).