1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol

C15H25NO3 — CID 114491840

IUPAC1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol
SMILESCCNCc1ccc(OC)cc1OCC(C)(O)CC
InChIInChI=1S/C15H25NO3/c1-5-15(3,17)11-19-14-9-13(18-4)8-7-12(14)10-16-6-2/h7-9,16-17H,5-6,10-11H2,1-4H3
InChIKeyAMDYCGPRLYBQDZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.34
Rot. Bonds8

About 1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol

1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol (PubChem CID 114491840) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol
PubChem CID114491840
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol
SMILESCCNCc1ccc(OC)cc1OCC(C)(O)CC
InChIInChI=1S/C15H25NO3/c1-5-15(3,17)11-19-14-9-13(18-4)8-7-12(14)10-16-6-2/h7-9,16-17H,5-6,10-11H2,1-4H3
InChIKeyAMDYCGPRLYBQDZ-UHFFFAOYSA-N
XLogP2.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine
CID 81107388
N-[[4-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]methyl]ethanamine
CID 115513169
N-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine
CID 79168380
1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2-methylbutan-2-ol
CID 114491540
N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine
CID 61269264
1-[5-methoxy-2-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 114491839
N-[(2,4-diethoxyphenyl)methyl]ethanamine
CID 54804724
N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide
CID 61485485
N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056447
N-[(2-ethoxy-4-methoxyphenyl)methyl]hydroxylamine
CID 117287000
N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 61268716
2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide
CID 61269643

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol?
The IUPAC name of 1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol (CID 114491840) is 1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol is CCNCc1ccc(OC)cc1OCC(C)(O)CC.
What is the InChIKey of 1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol?
The InChIKey is AMDYCGPRLYBQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-15(3,17)11-19-14-9-13(18-4)8-7-12(14)10-16-6-2/h7-9,16-17H,5-6,10-11H2,1-4H3.
What are the key properties of 1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol?
1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 114491840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).