3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol

C16H27NO4 — CID 103993390

IUPAC3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol
SMILESCOc1ccc(OCC(O)CNC(C)(C)C(C)(C)O)cc1
InChIInChI=1S/C16H27NO4/c1-15(2,16(3,4)19)17-10-12(18)11-21-14-8-6-13(20-5)7-9-14/h6-9,12,17-19H,10-11H2,1-5H3
InChIKeyVKJAEIUQUJHVBC-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.57
Rot. Bonds8

About 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol

3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol (PubChem CID 103993390) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol
PubChem CID103993390
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol
SMILESCOc1ccc(OCC(O)CNC(C)(C)C(C)(C)O)cc1
InChIInChI=1S/C16H27NO4/c1-15(2,16(3,4)19)17-10-12(18)11-21-14-8-6-13(20-5)7-9-14/h6-9,12,17-19H,10-11H2,1-5H3
InChIKeyVKJAEIUQUJHVBC-UHFFFAOYSA-N
XLogP1.57
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-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

3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol
CID 106190087
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol
CID 66186467
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-(4-methylphenoxy)propan-2-ol;hydrochloride
CID 22640931
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-(4-propylphenoxy)propan-2-ol;hydrochloride
CID 22640809
(2S)-1-(tert-butylamino)-3-(4-iodophenoxy)propan-2-ol
CID 101075385
1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635112
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572
(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol (CID 103993390) is 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol is COc1ccc(OCC(O)CNC(C)(C)C(C)(C)O)cc1.
What is the InChIKey of 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol?
The InChIKey is VKJAEIUQUJHVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-15(2,16(3,4)19)17-10-12(18)11-21-14-8-6-13(20-5)7-9-14/h6-9,12,17-19H,10-11H2,1-5H3.
What are the key properties of 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol?
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol has a molecular weight of 297.40 g/mol, XLogP of 1.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 103993390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).