4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol

C15H23Cl2NO3 — CID 106146498

IUPAC4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNCC(O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H23Cl2NO3/c1-15(2,5-6-19)10-18-8-11(20)9-21-12-3-4-13(16)14(17)7-12/h3-4,7,11,18-20H,5-6,8-10H2,1-2H3
InChIKeySLSVJBVJLRJVIU-UHFFFAOYSA-N
MW336.26 g/mol
LogP2.73
Rot. Bonds9

About 4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol

4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol (PubChem CID 106146498) has the molecular formula C15H23Cl2NO3 and a molecular weight of 336.26 g/mol. Its IUPAC name is 4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol
PubChem CID106146498
Molecular FormulaC15H23Cl2NO3
Molecular Weight336.26 g/mol
Exact Mass335.11
IUPAC Name4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNCC(O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H23Cl2NO3/c1-15(2,5-6-19)10-18-8-11(20)9-21-12-3-4-13(16)14(17)7-12/h3-4,7,11,18-20H,5-6,8-10H2,1-2H3
InChIKeySLSVJBVJLRJVIU-UHFFFAOYSA-N
XLogP2.73
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-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

1-(3,4-dichlorophenoxy)-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291336
1-(4-chloro-3-methylphenoxy)-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol
CID 114941799
N-[2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]ethyl]acetamide
CID 60632295
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106147203
3-(3,4-dichlorophenoxy)propane-1,2-diol
CID 78931944
3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174321
1-(3,4-dichlorophenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol
CID 106188238
1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol
CID 62275385
3-[[3-(4-bromophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359902
2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide
CID 60900938
(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
CID 40580003
3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol
CID 115359754

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol (CID 106146498) is 4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNCC(O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol?
The InChIKey is SLSVJBVJLRJVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO3/c1-15(2,5-6-19)10-18-8-11(20)9-21-12-3-4-13(16)14(17)7-12/h3-4,7,11,18-20H,5-6,8-10H2,1-2H3.
What are the key properties of 4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol?
4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol has a molecular weight of 336.26 g/mol, XLogP of 2.73, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106146498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).