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

C14H20FN5 — CID 103298101

IUPAC4-fluoro-3-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline
SMILESCc1cc(N)cc(-c2nnnn2C(C)CC(C)C)c1F
InChIInChI=1S/C14H20FN5/c1-8(2)5-10(4)20-14(17-18-19-20)12-7-11(16)6-9(3)13(12)15/h6-8,10H,5,16H2,1-4H3
InChIKeyCOXFELGTSMLGJH-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.98
Rot. Bonds4

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

4-fluoro-3-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline (PubChem CID 103298101) has the molecular formula C14H20FN5 and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-fluoro-3-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-fluoro-3-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline
PubChem CID103298101
Molecular FormulaC14H20FN5
Molecular Weight277.35 g/mol
Exact Mass277.17
IUPAC Name4-fluoro-3-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline
SMILESCc1cc(N)cc(-c2nnnn2C(C)CC(C)C)c1F
InChIInChI=1S/C14H20FN5/c1-8(2)5-10(4)20-14(17-18-19-20)12-7-11(16)6-9(3)13(12)15/h6-8,10H,5,16H2,1-4H3
InChIKeyCOXFELGTSMLGJH-UHFFFAOYSA-N
XLogP2.98
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.98
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-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline
CID 103298181
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
3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline
CID 103298118
4-fluoro-3-methyl-5-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]aniline
CID 103298205
4-methyl-3-(1-octan-2-yltetrazol-5-yl)aniline
CID 61477974
4-fluoro-3-[1-(2-fluorophenyl)tetrazol-5-yl]-5-methylaniline
CID 103298122
4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline
CID 61470520
2-chloro-4-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline
CID 82786109
3,4-dichloro-5-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]aniline
CID 107199568
4-[1-(4-methoxybutan-2-yl)tetrazol-5-yl]benzene-1,3-diamine
CID 64605125
3-[5-(5-fluoro-2-methylphenyl)tetrazol-1-yl]butanoic acid
CID 66044111

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline?
The IUPAC name of 4-fluoro-3-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline (CID 103298101) is 4-fluoro-3-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-fluoro-3-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-fluoro-3-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline is Cc1cc(N)cc(-c2nnnn2C(C)CC(C)C)c1F.
What is the InChIKey of 4-fluoro-3-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline?
The InChIKey is COXFELGTSMLGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5/c1-8(2)5-10(4)20-14(17-18-19-20)12-7-11(16)6-9(3)13(12)15/h6-8,10H,5,16H2,1-4H3.
What are the key properties of 4-fluoro-3-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline?
4-fluoro-3-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline has a molecular weight of 277.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 103298101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).