3-(hex-5-en-2-ylamino)-2,6-dimethylphenol

C14H21NO — CID 104655583

IUPAC3-(hex-5-en-2-ylamino)-2,6-dimethylphenol
SMILESC=CCCC(C)Nc1ccc(C)c(O)c1C
InChIInChI=1S/C14H21NO/c1-5-6-7-11(3)15-13-9-8-10(2)14(16)12(13)4/h5,8-9,11,15-16H,1,6-7H2,2-4H3
InChIKeyOEXJNEPTXGTIES-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.78
Rot. Bonds5

About 3-(hex-5-en-2-ylamino)-2,6-dimethylphenol

3-(hex-5-en-2-ylamino)-2,6-dimethylphenol (PubChem CID 104655583) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(hex-5-en-2-ylamino)-2,6-dimethylphenol.

Molecular Properties

Compound Name3-(hex-5-en-2-ylamino)-2,6-dimethylphenol
PubChem CID104655583
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(hex-5-en-2-ylamino)-2,6-dimethylphenol
SMILESC=CCCC(C)Nc1ccc(C)c(O)c1C
InChIInChI=1S/C14H21NO/c1-5-6-7-11(3)15-13-9-8-10(2)14(16)12(13)4/h5,8-9,11,15-16H,1,6-7H2,2-4H3
InChIKeyOEXJNEPTXGTIES-UHFFFAOYSA-N
XLogP3.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol
CID 62536428
N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide
CID 104583783
3-(hex-5-en-2-ylamino)-4-methylbenzonitrile
CID 104586742
N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104584017
N-[5-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104583832
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol
CID 79541859
N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 104584103
3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741819
4-bromo-N-hex-5-en-2-yl-3-methylaniline
CID 104655310
5-[1-(3-hydroxy-2,4-dimethylanilino)ethyl]benzene-1,3-diol
CID 107705884
2,6-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]phenol
CID 43741861

Frequently Asked Questions

What is the IUPAC name of 3-(hex-5-en-2-ylamino)-2,6-dimethylphenol?
The IUPAC name of 3-(hex-5-en-2-ylamino)-2,6-dimethylphenol (CID 104655583) is 3-(hex-5-en-2-ylamino)-2,6-dimethylphenol.
What is the SMILES notation for 3-(hex-5-en-2-ylamino)-2,6-dimethylphenol?
The canonical SMILES for 3-(hex-5-en-2-ylamino)-2,6-dimethylphenol is C=CCCC(C)Nc1ccc(C)c(O)c1C.
What is the InChIKey of 3-(hex-5-en-2-ylamino)-2,6-dimethylphenol?
The InChIKey is OEXJNEPTXGTIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-6-7-11(3)15-13-9-8-10(2)14(16)12(13)4/h5,8-9,11,15-16H,1,6-7H2,2-4H3.
What are the key properties of 3-(hex-5-en-2-ylamino)-2,6-dimethylphenol?
3-(hex-5-en-2-ylamino)-2,6-dimethylphenol has a molecular weight of 219.33 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hex-5-en-2-ylamino)-2,6-dimethylphenol is sourced from PubChem (CID 104655583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).