1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol

C14H22ClNO4 — CID 106988840

IUPAC1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCNCc1c(Cl)cccc1OCC(O)COCCOC
InChIInChI=1S/C14H22ClNO4/c1-16-8-12-13(15)4-3-5-14(12)20-10-11(17)9-19-7-6-18-2/h3-5,11,16-17H,6-10H2,1-2H3
InChIKeyQVOWYQWIYLOOCH-UHFFFAOYSA-N
MW303.79 g/mol
LogP1.46
Rot. Bonds10

About 1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol

1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106988840) has the molecular formula C14H22ClNO4 and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106988840
Molecular FormulaC14H22ClNO4
Molecular Weight303.79 g/mol
Exact Mass303.12
IUPAC Name1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCNCc1c(Cl)cccc1OCC(O)COCCOC
InChIInChI=1S/C14H22ClNO4/c1-16-8-12-13(15)4-3-5-14(12)20-10-11(17)9-19-7-6-18-2/h3-5,11,16-17H,6-10H2,1-2H3
InChIKeyQVOWYQWIYLOOCH-UHFFFAOYSA-N
XLogP1.46
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-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

1-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol
CID 114320203
1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol
CID 114319870
1-[2-bromo-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988607
methyl 4-[3-chloro-2-(methylaminomethyl)phenoxy]butanoate
CID 114318736
3-[3-chloro-2-(methylaminomethyl)phenoxy]butan-2-ol
CID 114318725
1-[2-[(cyclopropylamino)methyl]phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988475
1-[2-fluoro-6-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988874
1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
CID 104560220
3-chloro-4-[2-hydroxy-3-(2-methoxyethoxy)propoxy]benzonitrile
CID 106990723
1-[2-chloro-4-(hydroxymethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991077
1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
CID 106988796
1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine
CID 114318647

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol (CID 106988840) is 1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol is CNCc1c(Cl)cccc1OCC(O)COCCOC.
What is the InChIKey of 1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is QVOWYQWIYLOOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO4/c1-16-8-12-13(15)4-3-5-14(12)20-10-11(17)9-19-7-6-18-2/h3-5,11,16-17H,6-10H2,1-2H3.
What are the key properties of 1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 303.79 g/mol, XLogP of 1.46, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106988840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).