2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol

C15H25NO2 — CID 104582409

IUPAC2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NC(C)C(C)(C)C)c(O)c1
InChIInChI=1S/C15H25NO2/c1-10(16-11(2)15(3,4)5)13-8-7-12(18-6)9-14(13)17/h7-11,16-17H,1-6H3
InChIKeyYFCAIEZTCHNKMD-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.49
Rot. Bonds4

About 2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol

2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol (PubChem CID 104582409) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol
PubChem CID104582409
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NC(C)C(C)(C)C)c(O)c1
InChIInChI=1S/C15H25NO2/c1-10(16-11(2)15(3,4)5)13-8-7-12(18-6)9-14(13)17/h7-11,16-17H,1-6H3
InChIKeyYFCAIEZTCHNKMD-UHFFFAOYSA-N
XLogP3.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methylphenol
CID 104582413
5-methoxy-2-[1-(2-methylpentan-3-ylamino)ethyl]phenol
CID 54955000
5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol
CID 43371792
5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83141611
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide
CID 54950564
2-[1-(hexan-2-ylamino)ethyl]-5-methoxyphenol
CID 62196423
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]benzene-1,4-diol
CID 104827658
5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol
CID 63012949
2-[(1S)-1-amino-2,2-dimethylpropyl]-5-methoxyphenol;hydrochloride
CID 171239815

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol (CID 104582409) is 2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol is COc1ccc(C(C)NC(C)C(C)(C)C)c(O)c1.
What is the InChIKey of 2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol?
The InChIKey is YFCAIEZTCHNKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10(16-11(2)15(3,4)5)13-8-7-12(18-6)9-14(13)17/h7-11,16-17H,1-6H3.
What are the key properties of 2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol?
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol has a molecular weight of 251.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol is sourced from PubChem (CID 104582409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).