1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol

C14H23NO3 — CID 78927381

IUPAC1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(OCCN(C)CC(C)(C)O)cc1
InChIInChI=1S/C14H23NO3/c1-14(2,16)11-15(3)9-10-18-13-7-5-12(17-4)6-8-13/h5-8,16H,9-11H2,1-4H3
InChIKeyDFJYNGKFXGXCKB-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.78
Rot. Bonds7

About 1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol

1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol (PubChem CID 78927381) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol
PubChem CID78927381
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(OCCN(C)CC(C)(C)O)cc1
InChIInChI=1S/C14H23NO3/c1-14(2,16)11-15(3)9-10-18-13-7-5-12(17-4)6-8-13/h5-8,16H,9-11H2,1-4H3
InChIKeyDFJYNGKFXGXCKB-UHFFFAOYSA-N
XLogP1.78
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl-methylamino]-2-methylpropan-2-ol
CID 79389368
4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726
1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-methylpropan-2-ol
CID 67854533
2-methyl-1-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-2-ol
CID 78964659
methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate
CID 60654331
2-methyl-1-[methyl-[3-(4-nitrophenoxy)propyl]amino]propan-2-ol
CID 111336162
3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethoxy]benzoic acid
CID 79386793
1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 115137127
3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethoxy]benzenecarbothioamide
CID 79382237
2-bromo-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropan-1-amine
CID 80666794
1-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpropan-2-amine
CID 113476446
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline
CID 110455054

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol (CID 78927381) is 1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol is COc1ccc(OCCN(C)CC(C)(C)O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is DFJYNGKFXGXCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,16)11-15(3)9-10-18-13-7-5-12(17-4)6-8-13/h5-8,16H,9-11H2,1-4H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol?
1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 78927381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).