2-butyl-6-methylphenol;2-methylaniline

C18H25NO — CID 70417016

IUPAC2-butyl-6-methylphenol;2-methylaniline
SMILESCCCCc1cccc(C)c1O.Cc1ccccc1N
InChIInChI=1S/C11H16O.C7H9N/c1-3-4-7-10-8-5-6-9(2)11(10)12;1-6-4-2-3-5-7(6)8/h5-6,8,12H,3-4,7H2,1-2H3;2-5H,8H2,1H3
InChIKeyQLYRVVUKTJLJJB-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.62
Rot. Bonds3

About 2-butyl-6-methylphenol;2-methylaniline

2-butyl-6-methylphenol;2-methylaniline (PubChem CID 70417016) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-butyl-6-methylphenol;2-methylaniline.

Molecular Properties

Compound Name2-butyl-6-methylphenol;2-methylaniline
PubChem CID70417016
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-butyl-6-methylphenol;2-methylaniline
SMILESCCCCc1cccc(C)c1O.Cc1ccccc1N
InChIInChI=1S/C11H16O.C7H9N/c1-3-4-7-10-8-5-6-9(2)11(10)12;1-6-4-2-3-5-7(6)8/h5-6,8,12H,3-4,7H2,1-2H3;2-5H,8H2,1H3
InChIKeyQLYRVVUKTJLJJB-UHFFFAOYSA-N
XLogP4.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-undecylphenol
CID 174998801
2-(aminomethyl)-6-butylphenol
CID 142528852
2-(butylaminomethyl)-6-methylphenol
CID 82669937
2-butyl-6-methylphenol;prop-2-enyl benzoate
CID 174528633
bis(2-methylaniline);propane
CID 158079245
3-hexadecylbenzene-1,2-diamine
CID 21486063
3-heptylbenzene-1,2-diamine
CID 54294278
ethane;2-methylaniline;propane
CID 144801075
2-butyl-6-octylaniline
CID 154074002
2-tetradecylaniline
CID 22218918
2-(2-bromoethyl)-6-methylphenol
CID 21464053
2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol
CID 171777158

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-methylphenol;2-methylaniline?
The IUPAC name of 2-butyl-6-methylphenol;2-methylaniline (CID 70417016) is 2-butyl-6-methylphenol;2-methylaniline.
What is the SMILES notation for 2-butyl-6-methylphenol;2-methylaniline?
The canonical SMILES for 2-butyl-6-methylphenol;2-methylaniline is CCCCc1cccc(C)c1O.Cc1ccccc1N.
What is the InChIKey of 2-butyl-6-methylphenol;2-methylaniline?
The InChIKey is QLYRVVUKTJLJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C7H9N/c1-3-4-7-10-8-5-6-9(2)11(10)12;1-6-4-2-3-5-7(6)8/h5-6,8,12H,3-4,7H2,1-2H3;2-5H,8H2,1H3.
What are the key properties of 2-butyl-6-methylphenol;2-methylaniline?
2-butyl-6-methylphenol;2-methylaniline has a molecular weight of 271.40 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-methylphenol;2-methylaniline is sourced from PubChem (CID 70417016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).