4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol

C16H27NO4 — CID 64803042

IUPAC4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCOc1c(OC)cccc1OC
InChIInChI=1S/C16H27NO4/c1-5-10-17-16(2,12-18)9-11-21-15-13(19-3)7-6-8-14(15)20-4/h6-8,17-18H,5,9-12H2,1-4H3
InChIKeyAGMKPTAWSWVZFK-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.22
Rot. Bonds10

About 4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol

4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol (PubChem CID 64803042) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol
PubChem CID64803042
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCOc1c(OC)cccc1OC
InChIInChI=1S/C16H27NO4/c1-5-10-17-16(2,12-18)9-11-21-15-13(19-3)7-6-8-14(15)20-4/h6-8,17-18H,5,9-12H2,1-4H3
InChIKeyAGMKPTAWSWVZFK-UHFFFAOYSA-N
XLogP2.22
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-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

2-methyl-4-(2-phenoxyethoxy)-2-(propylamino)butan-1-ol
CID 64803814
4-(2,6-dimethoxyphenoxy)-2-methylbutan-2-amine
CID 28917828
2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol
CID 64803943
5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine
CID 62449814
4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol
CID 61056815
2-amino-5-(2,6-dimethoxyphenoxy)-2-ethylpentan-1-ol
CID 106810424
5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol
CID 64811409
2-(2-methoxyphenyl)-2-(propylamino)propan-1-ol
CID 61057006
4-(2,6-dimethoxyphenoxy)-2,2-dimethylbutanethioamide
CID 65249307
5-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64803546
2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol
CID 106810528
2-(ethylamino)-2-methyl-4-(2-methylphenoxy)butan-1-ol
CID 64803345

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol (CID 64803042) is 4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol is CCCNC(C)(CO)CCOc1c(OC)cccc1OC.
What is the InChIKey of 4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol?
The InChIKey is AGMKPTAWSWVZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-5-10-17-16(2,12-18)9-11-21-15-13(19-3)7-6-8-14(15)20-4/h6-8,17-18H,5,9-12H2,1-4H3.
What are the key properties of 4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol?
4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol has a molecular weight of 297.39 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenoxy)-2-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64803042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).