1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol

C14H21F2NO4 — CID 79884097

IUPAC1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol
SMILESCOCCNCc1cc(F)c(OCC(O)COC)c(F)c1
InChIInChI=1S/C14H21F2NO4/c1-19-4-3-17-7-10-5-12(15)14(13(16)6-10)21-9-11(18)8-20-2/h5-6,11,17-18H,3-4,7-9H2,1-2H3
InChIKeyIDGVQJYDSZQIKI-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.09
Rot. Bonds10

About 1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol

1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol (PubChem CID 79884097) has the molecular formula C14H21F2NO4 and a molecular weight of 305.32 g/mol. Its IUPAC name is 1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol
PubChem CID79884097
Molecular FormulaC14H21F2NO4
Molecular Weight305.32 g/mol
Exact Mass305.14
IUPAC Name1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol
SMILESCOCCNCc1cc(F)c(OCC(O)COC)c(F)c1
InChIInChI=1S/C14H21F2NO4/c1-19-4-3-17-7-10-5-12(15)14(13(16)6-10)21-9-11(18)8-20-2/h5-6,11,17-18H,3-4,7-9H2,1-2H3
InChIKeyIDGVQJYDSZQIKI-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

N-[[3,5-difluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine
CID 79884084
1-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988810
N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 79891677
2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 79891535
1-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-3-methoxypropan-2-ol
CID 63928760
N-[[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]methyl]propan-1-amine
CID 79891944
N-[[3,5-dibromo-4-(2,2-difluoroethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107744660
3-[2,6-difluoro-4-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
CID 82850259
N-[(4-butan-2-ylsulfanyl-3,5-difluorophenyl)methyl]-2-methoxyethanamine
CID 63806055
N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)aniline
CID 63060197
2-[N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63059172
2,6-difluoro-4-[[2-(2-methylpropoxy)ethylamino]methyl]phenol
CID 113251415

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol?
The IUPAC name of 1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol (CID 79884097) is 1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol is COCCNCc1cc(F)c(OCC(O)COC)c(F)c1.
What is the InChIKey of 1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol?
The InChIKey is IDGVQJYDSZQIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO4/c1-19-4-3-17-7-10-5-12(15)14(13(16)6-10)21-9-11(18)8-20-2/h5-6,11,17-18H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol?
1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-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-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol is sourced from PubChem (CID 79884097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).