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

C15H25NO3 — CID 106143749

IUPAC2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol
SMILESCCOc1cc(CNCC(C)(C)CCO)ccc1O
InChIInChI=1S/C15H25NO3/c1-4-19-14-9-12(5-6-13(14)18)10-16-11-15(2,3)7-8-17/h5-6,9,16-18H,4,7-8,10-11H2,1-3H3
InChIKeyQYMDKULHTSPPGR-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.29
Rot. Bonds8

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

2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol (PubChem CID 106143749) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol
PubChem CID106143749
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol
SMILESCCOc1cc(CNCC(C)(C)CCO)ccc1O
InChIInChI=1S/C15H25NO3/c1-4-19-14-9-12(5-6-13(14)18)10-16-11-15(2,3)7-8-17/h5-6,9,16-18H,4,7-8,10-11H2,1-3H3
InChIKeyQYMDKULHTSPPGR-UHFFFAOYSA-N
XLogP2.29
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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

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Related Compounds

2-chloro-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 113245011
2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
CID 60735183
4-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 111470685
5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897750
4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol
CID 64570279
2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol
CID 62518899
2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol
CID 103708054
2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 55081400
1-[(4-ethoxy-3-fluorophenyl)methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111506012
2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde
CID 54156927

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol (CID 106143749) is 2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol is CCOc1cc(CNCC(C)(C)CCO)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol?
The InChIKey is QYMDKULHTSPPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-19-14-9-12(5-6-13(14)18)10-16-11-15(2,3)7-8-17/h5-6,9,16-18H,4,7-8,10-11H2,1-3H3.
What are the key properties of 2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol?
2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol has a molecular weight of 267.37 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol is sourced from PubChem (CID 106143749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).