1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol

C15H23F2NO2 — CID 114492190

IUPAC1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol
SMILESCCNCc1cc(F)c(OCC(C)(O)C(C)C)c(F)c1
InChIInChI=1S/C15H23F2NO2/c1-5-18-8-11-6-12(16)14(13(17)7-11)20-9-15(4,19)10(2)3/h6-7,10,18-19H,5,8-9H2,1-4H3
InChIKeyZPDDDMYZMGLMQQ-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.86
Rot. Bonds7

About 1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol

1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol (PubChem CID 114492190) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol
PubChem CID114492190
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol
SMILESCCNCc1cc(F)c(OCC(C)(O)C(C)C)c(F)c1
InChIInChI=1S/C15H23F2NO2/c1-5-18-8-11-6-12(16)14(13(17)7-11)20-9-15(4,19)10(2)3/h6-7,10,18-19H,5,8-9H2,1-4H3
InChIKeyZPDDDMYZMGLMQQ-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 114492193
N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79892242
N-[[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106450448
N-[(3,5-difluoro-4-heptoxyphenyl)methyl]ethanamine
CID 79892240
1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 114491618
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79891352
1-[4-(ethylaminomethyl)-2-nitrophenoxy]-2,3-dimethylbutan-2-ol
CID 114491610
N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 63075795
N-[[4-(2-butoxyethoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 79891496
N-[(3,5-difluoro-4-pent-3-ynoxyphenyl)methyl]ethanamine
CID 113455301
N-[[4-(2,3-dichloroprop-2-enoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 79892169
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79891642

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol (CID 114492190) is 1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol is CCNCc1cc(F)c(OCC(C)(O)C(C)C)c(F)c1.
What is the InChIKey of 1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol?
The InChIKey is ZPDDDMYZMGLMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-5-18-8-11-6-12(16)14(13(17)7-11)20-9-15(4,19)10(2)3/h6-7,10,18-19H,5,8-9H2,1-4H3.
What are the key properties of 1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol?
1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol has a molecular weight of 287.35 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114492190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).