1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride

C13H20Cl3NO4 — CID 16798589

IUPAC1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride
SMILESCl.OCCN(CCO)CC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO4.ClH/c14-10-1-2-13(12(15)7-10)20-9-11(19)8-16(3-5-17)4-6-18;/h1-2,7,11,17-19H,3-6,8-9H2;1H
InChIKeyZHJMJLYNNPZVRS-UHFFFAOYSA-N
MW360.67 g/mol
LogP1.44
Rot. Bonds9

About 1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride

1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride (PubChem CID 16798589) has the molecular formula C13H20Cl3NO4 and a molecular weight of 360.67 g/mol. Its IUPAC name is 1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride
PubChem CID16798589
Molecular FormulaC13H20Cl3NO4
Molecular Weight360.67 g/mol
Exact Mass359.05
IUPAC Name1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride
SMILESCl.OCCN(CCO)CC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO4.ClH/c14-10-1-2-13(12(15)7-10)20-9-11(19)8-16(3-5-17)4-6-18;/h1-2,7,11,17-19H,3-6,8-9H2;1H
InChIKeyZHJMJLYNNPZVRS-UHFFFAOYSA-N
XLogP1.44
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.67
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride 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-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride
CID 44828171
1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol
CID 4618279
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 62014390
1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 61244457
1-[bis(2-hydroxyethyl)amino]-3-(2,4,6-tribromophenoxy)propan-2-ol;hydrochloride
CID 16807411
(2S)-1-(2,4-dichlorophenoxy)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propan-2-ol
CID 6945098
1-(2,4-dichlorophenoxy)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propan-2-ol
CID 4743647
1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol
CID 60635084
1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol
CID 71384988
1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
CID 3721527

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride (CID 16798589) is 1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride is Cl.OCCN(CCO)CC(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride?
The InChIKey is ZHJMJLYNNPZVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO4.ClH/c14-10-1-2-13(12(15)7-10)20-9-11(19)8-16(3-5-17)4-6-18;/h1-2,7,11,17-19H,3-6,8-9H2;1H.
What are the key properties of 1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride?
1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride has a molecular weight of 360.67 g/mol, XLogP of 1.44, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 16798589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).