4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol

C16H27NO3 — CID 82000365

IUPAC4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol
SMILESCCNC(C)c1ccc(OC)cc1OCCC(C)(C)O
InChIInChI=1S/C16H27NO3/c1-6-17-12(2)14-8-7-13(19-5)11-15(14)20-10-9-16(3,4)18/h7-8,11-12,17-18H,6,9-10H2,1-5H3
InChIKeyLLTNIUWNSNTSFE-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.91
Rot. Bonds8

About 4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol

4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol (PubChem CID 82000365) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol
PubChem CID82000365
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol
SMILESCCNC(C)c1ccc(OC)cc1OCCC(C)(C)O
InChIInChI=1S/C16H27NO3/c1-6-17-12(2)14-8-7-13(19-5)11-15(14)20-10-9-16(3,4)18/h7-8,11-12,17-18H,6,9-10H2,1-5H3
InChIKeyLLTNIUWNSNTSFE-UHFFFAOYSA-N
XLogP2.91
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-N-ethylethanamine
CID 82000221
3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol
CID 82850774
4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79360631
4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol
CID 82000949
4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103787619
(1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034207
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol
CID 66169659
N-ethyl-1-[4-methoxy-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 82000944
2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81412732
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide
CID 82000648
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol (CID 82000365) is 4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol is CCNC(C)c1ccc(OC)cc1OCCC(C)(C)O.
What is the InChIKey of 4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol?
The InChIKey is LLTNIUWNSNTSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-17-12(2)14-8-7-13(19-5)11-15(14)20-10-9-16(3,4)18/h7-8,11-12,17-18H,6,9-10H2,1-5H3.
What are the key properties of 4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol?
4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 82000365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).