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

C13H19Cl2NO3 — CID 3412619

IUPAC2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO3/c1-13(2,8-17)16-6-10(18)7-19-12-4-3-9(14)5-11(12)15/h3-5,10,16-18H,6-8H2,1-2H3
InChIKeyXRNMNYDCVWQBLE-UHFFFAOYSA-N
MW308.20 g/mol
LogP2.09
Rot. Bonds7

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

2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol (PubChem CID 3412619) has the molecular formula C13H19Cl2NO3 and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
PubChem CID3412619
Molecular FormulaC13H19Cl2NO3
Molecular Weight308.20 g/mol
Exact Mass307.07
IUPAC Name2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO3/c1-13(2,8-17)16-6-10(18)7-19-12-4-3-9(14)5-11(12)15/h3-5,10,16-18H,6-8H2,1-2H3
InChIKeyXRNMNYDCVWQBLE-UHFFFAOYSA-N
XLogP2.09
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol
CID 66185309
1-(2,5-dichlorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 115609657
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 959161
1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol
CID 60899964
1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol
CID 60635084
1-(2,5-dichlorophenoxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103746646
1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride
CID 44787018
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
CID 107152413

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol (CID 3412619) is 2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol is CC(C)(CO)NCC(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol?
The InChIKey is XRNMNYDCVWQBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO3/c1-13(2,8-17)16-6-10(18)7-19-12-4-3-9(14)5-11(12)15/h3-5,10,16-18H,6-8H2,1-2H3.
What are the key properties of 2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol?
2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol has a molecular weight of 308.20 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 3412619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).