1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride

C15H26ClNO6 — CID 16806866

IUPAC1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
SMILESCOc1cccc(OC)c1OCC(O)CN(CCO)CCO.Cl
InChIInChI=1S/C15H25NO6.ClH/c1-20-13-4-3-5-14(21-2)15(13)22-11-12(19)10-16(6-8-17)7-9-18;/h3-5,12,17-19H,6-11H2,1-2H3;1H
InChIKeyLOMHCDOPHNZUJJ-UHFFFAOYSA-N
MW351.83 g/mol
LogP0.15
Rot. Bonds11

About 1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride

1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride (PubChem CID 16806866) has the molecular formula C15H26ClNO6 and a molecular weight of 351.83 g/mol. Its IUPAC name is 1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
PubChem CID16806866
Molecular FormulaC15H26ClNO6
Molecular Weight351.83 g/mol
Exact Mass351.14
IUPAC Name1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
SMILESCOc1cccc(OC)c1OCC(O)CN(CCO)CCO.Cl
InChIInChI=1S/C15H25NO6.ClH/c1-20-13-4-3-5-14(21-2)15(13)22-11-12(19)10-16(6-8-17)7-9-18;/h3-5,12,17-19H,6-11H2,1-2H3;1H
InChIKeyLOMHCDOPHNZUJJ-UHFFFAOYSA-N
XLogP0.15
TPSA91.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)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

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride (CID 16806866) is 1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride is COc1cccc(OC)c1OCC(O)CN(CCO)CCO.Cl.
What is the InChIKey of 1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride?
The InChIKey is LOMHCDOPHNZUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO6.ClH/c1-20-13-4-3-5-14(21-2)15(13)22-11-12(19)10-16(6-8-17)7-9-18;/h3-5,12,17-19H,6-11H2,1-2H3;1H.
What are the key properties of 1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride?
1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 0.15, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 16806866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).