2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol

C15H25NO3 — CID 63057479

IUPAC2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol
SMILESCCOc1cccc(CNCC(C)C)c1OCCO
InChIInChI=1S/C15H25NO3/c1-4-18-14-7-5-6-13(11-16-10-12(2)3)15(14)19-9-8-17/h5-7,12,16-17H,4,8-11H2,1-3H3
InChIKeyWNFVWGDINBRANY-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.20
Rot. Bonds9

About 2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol

2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol (PubChem CID 63057479) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol
PubChem CID63057479
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol
SMILESCCOc1cccc(CNCC(C)C)c1OCCO
InChIInChI=1S/C15H25NO3/c1-4-18-14-7-5-6-13(11-16-10-12(2)3)15(14)19-9-8-17/h5-7,12,16-17H,4,8-11H2,1-3H3
InChIKeyWNFVWGDINBRANY-UHFFFAOYSA-N
XLogP2.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114471621
N-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63057630
N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 66046626
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]ethanol
CID 43471970
5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62229697
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17206183
N-[[2-(ethoxymethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65369404
2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol
CID 43220976
N-[(2-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63056606
N-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63557933

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol (CID 63057479) is 2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol is CCOc1cccc(CNCC(C)C)c1OCCO.
What is the InChIKey of 2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol?
The InChIKey is WNFVWGDINBRANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-18-14-7-5-6-13(11-16-10-12(2)3)15(14)19-9-8-17/h5-7,12,16-17H,4,8-11H2,1-3H3.
What are the key properties of 2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol?
2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol has a molecular weight of 267.37 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol is sourced from PubChem (CID 63057479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).