1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol

C14H21F2NO4 — CID 106988810

IUPAC1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCNCc1cc(F)c(OCC(O)COCCOC)c(F)c1
InChIInChI=1S/C14H21F2NO4/c1-17-7-10-5-12(15)14(13(16)6-10)21-9-11(18)8-20-4-3-19-2/h5-6,11,17-18H,3-4,7-9H2,1-2H3
InChIKeyAXGSJAZMJQBIHD-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.09
Rot. Bonds10

About 1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol

1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106988810) has the molecular formula C14H21F2NO4 and a molecular weight of 305.32 g/mol. Its IUPAC name is 1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106988810
Molecular FormulaC14H21F2NO4
Molecular Weight305.32 g/mol
Exact Mass305.14
IUPAC Name1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
SMILESCNCc1cc(F)c(OCC(O)COCCOC)c(F)c1
InChIInChI=1S/C14H21F2NO4/c1-17-7-10-5-12(15)14(13(16)6-10)21-9-11(18)8-20-4-3-19-2/h5-6,11,17-18H,3-4,7-9H2,1-2H3
InChIKeyAXGSJAZMJQBIHD-UHFFFAOYSA-N
XLogP1.09
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-fluoro-6-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988874
1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol
CID 79884097
1-[2-bromo-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988607
2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol
CID 79891777
1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 80698852
1-(2-methoxyethoxy)-3-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
CID 106988796
1-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-3-methoxypropan-2-ol
CID 63929607
N-(cyanomethyl)-2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 79891256
N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106450448
1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988840
1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991174
3-[2,6-difluoro-4-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
CID 82850259

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol (CID 106988810) is 1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol is CNCc1cc(F)c(OCC(O)COCCOC)c(F)c1.
What is the InChIKey of 1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is AXGSJAZMJQBIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO4/c1-17-7-10-5-12(15)14(13(16)6-10)21-9-11(18)8-20-4-3-19-2/h5-6,11,17-18H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol?
1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 305.32 g/mol, XLogP of 1.09, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106988810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).