4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol

C15H25NO2 — CID 106953814

IUPAC4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol
SMILESCOC(C)(C)CC(C)Nc1cc(C)c(O)cc1C
InChIInChI=1S/C15H25NO2/c1-10-8-14(17)11(2)7-13(10)16-12(3)9-15(4,5)18-6/h7-8,12,16-17H,9H2,1-6H3
InChIKeyXVGMDAKSAHYTNC-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.62
Rot. Bonds5

About 4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol

4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol (PubChem CID 106953814) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol
PubChem CID106953814
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol
SMILESCOC(C)(C)CC(C)Nc1cc(C)c(O)cc1C
InChIInChI=1S/C15H25NO2/c1-10-8-14(17)11(2)7-13(10)16-12(3)9-15(4,5)18-6/h7-8,12,16-17H,9H2,1-6H3
InChIKeyXVGMDAKSAHYTNC-UHFFFAOYSA-N
XLogP3.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol
CID 106954059
methyl 3-[(4-methoxy-4-methylpentan-2-yl)amino]-4-methylbenzoate
CID 43680459
2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol
CID 106954007
N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701514
4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol
CID 43742567
4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol
CID 106953882
2,3,5-trifluoro-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 62811459
3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline
CID 43716067
4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid
CID 63742469
methyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate
CID 43321970
2-ethyl-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43147091
2,4-difluoro-5-[(4-methoxy-4-methylpentan-2-yl)amino]benzamide
CID 43673683

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol?
The IUPAC name of 4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol (CID 106953814) is 4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol.
What is the SMILES notation for 4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol?
The canonical SMILES for 4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol is COC(C)(C)CC(C)Nc1cc(C)c(O)cc1C.
What is the InChIKey of 4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol?
The InChIKey is XVGMDAKSAHYTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10-8-14(17)11(2)7-13(10)16-12(3)9-15(4,5)18-6/h7-8,12,16-17H,9H2,1-6H3.
What are the key properties of 4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol?
4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol has a molecular weight of 251.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol is sourced from PubChem (CID 106953814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).