2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol

C15H25NO3 — CID 104582510

IUPAC2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol
SMILESCOCCC(C)(O)CNC(C)c1ccc(C)cc1O
InChIInChI=1S/C15H25NO3/c1-11-5-6-13(14(17)9-11)12(2)16-10-15(3,18)7-8-19-4/h5-6,9,12,16-18H,7-8,10H2,1-4H3
InChIKeyQNZIWECOGNTLQQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.14
Rot. Bonds7

About 2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol

2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol (PubChem CID 104582510) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol
PubChem CID104582510
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol
SMILESCOCCC(C)(O)CNC(C)c1ccc(C)cc1O
InChIInChI=1S/C15H25NO3/c1-11-5-6-13(14(17)9-11)12(2)16-10-15(3,18)7-8-19-4/h5-6,9,12,16-18H,7-8,10H2,1-4H3
InChIKeyQNZIWECOGNTLQQ-UHFFFAOYSA-N
XLogP2.14
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol
CID 43205159
1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784156
5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol
CID 60988135
2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol
CID 104582144
2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol
CID 104583457
4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol
CID 103784299
1-[1-(3,5-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784250
1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784261
1-[1-(4-bromothiophen-2-yl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 107167459
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methylphenol
CID 104582413
5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol
CID 104582004
4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
CID 103784307

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol?
The IUPAC name of 2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol (CID 104582510) is 2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol is COCCC(C)(O)CNC(C)c1ccc(C)cc1O.
What is the InChIKey of 2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol?
The InChIKey is QNZIWECOGNTLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-5-6-13(14(17)9-11)12(2)16-10-15(3,18)7-8-19-4/h5-6,9,12,16-18H,7-8,10H2,1-4H3.
What are the key properties of 2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol?
2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol has a molecular weight of 267.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]-5-methylphenol is sourced from PubChem (CID 104582510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).