4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline

C15H23N5O — CID 115326829

IUPAC4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline
SMILESCOc1ccc(N)c(-c2nnnn2CCCCC(C)C)c1
InChIInChI=1S/C15H23N5O/c1-11(2)6-4-5-9-20-15(17-18-19-20)13-10-12(21-3)7-8-14(13)16/h7-8,10-11H,4-6,9,16H2,1-3H3
InChIKeyTYKKLZIHXKCZOE-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.76
Rot. Bonds7

About 4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline

4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline (PubChem CID 115326829) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline
PubChem CID115326829
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline
SMILESCOc1ccc(N)c(-c2nnnn2CCCCC(C)C)c1
InChIInChI=1S/C15H23N5O/c1-11(2)6-4-5-9-20-15(17-18-19-20)13-10-12(21-3)7-8-14(13)16/h7-8,10-11H,4-6,9,16H2,1-3H3
InChIKeyTYKKLZIHXKCZOE-UHFFFAOYSA-N
XLogP2.76
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline
CID 82940112
4-chloro-2-[1-(3-methylbutyl)tetrazol-5-yl]aniline
CID 61351688
4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline
CID 61464186
5-bromo-2-methyl-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline
CID 107873997
4-bromo-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline
CID 63004368
4-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]butanoic acid
CID 66046771
4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline
CID 104765127
2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline
CID 61351683
2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline
CID 61376569
3-chloro-5-[1-(5-methylhexyl)tetrazol-5-yl]aniline
CID 115326818
4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 79779039
2-[1-(3-ethoxypropyl)tetrazol-5-yl]-4-fluoroaniline
CID 61378138

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline (CID 115326829) is 4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline is COc1ccc(N)c(-c2nnnn2CCCCC(C)C)c1.
What is the InChIKey of 4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline?
The InChIKey is TYKKLZIHXKCZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11(2)6-4-5-9-20-15(17-18-19-20)13-10-12(21-3)7-8-14(13)16/h7-8,10-11H,4-6,9,16H2,1-3H3.
What are the key properties of 4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline?
4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline has a molecular weight of 289.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 115326829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).