4-ethoxy-2-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol

C15H25NO3 — CID 111118422

IUPAC4-ethoxy-2-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol
SMILESCCOc1ccc(O)c(CNCC(C)(O)C(C)C)c1
InChIInChI=1S/C15H25NO3/c1-5-19-13-6-7-14(17)12(8-13)9-16-10-15(4,18)11(2)3/h6-8,11,16-18H,5,9-10H2,1-4H3
InChIKeyYQFQZTDLSYEBTD-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.29
Rot. Bonds7

About 4-ethoxy-2-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol

4-ethoxy-2-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol (PubChem CID 111118422) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-ethoxy-2-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-ethoxy-2-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol
PubChem CID111118422
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-ethoxy-2-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol
SMILESCCOc1ccc(O)c(CNCC(C)(O)C(C)C)c1
InChIInChI=1S/C15H25NO3/c1-5-19-13-6-7-14(17)12(8-13)9-16-10-15(4,18)11(2)3/h6-8,11,16-18H,5,9-10H2,1-4H3
InChIKeyYQFQZTDLSYEBTD-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
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

4-ethoxy-2-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol
CID 111467860
4-ethoxy-2-[(propan-2-ylamino)methyl]phenol;hydrochloride
CID 115602892
4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride
CID 115602867
4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride
CID 115616005
2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
CID 60935381
3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484140
4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol
CID 115978599
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
1-(3-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120599
2-[[(3-ethoxyphenyl)methylamino]methyl]-4-methylphenol
CID 63324515
2-(1-aminoethyl)-4-ethoxyphenol
CID 19748523
4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol
CID 66179486

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol?
The IUPAC name of 4-ethoxy-2-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol (CID 111118422) is 4-ethoxy-2-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol.
What is the SMILES notation for 4-ethoxy-2-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol?
The canonical SMILES for 4-ethoxy-2-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol is CCOc1ccc(O)c(CNCC(C)(O)C(C)C)c1.
What is the InChIKey of 4-ethoxy-2-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol?
The InChIKey is YQFQZTDLSYEBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-19-13-6-7-14(17)12(8-13)9-16-10-15(4,18)11(2)3/h6-8,11,16-18H,5,9-10H2,1-4H3.
What are the key properties of 4-ethoxy-2-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol?
4-ethoxy-2-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol has a molecular weight of 267.37 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol is sourced from PubChem (CID 111118422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).