1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine

C10H13F2NO2 — CID 79492526

IUPAC1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine
SMILESCOC(OC)C(N)c1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO2/c1-14-10(15-2)9(13)7-4-3-6(11)5-8(7)12/h3-5,9-10H,13H2,1-2H3
InChIKeyVAWZTCDOIHPBCV-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.58
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine

1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine (PubChem CID 79492526) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine
PubChem CID79492526
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC Name1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine
SMILESCOC(OC)C(N)c1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO2/c1-14-10(15-2)9(13)7-4-3-6(11)5-8(7)12/h3-5,9-10H,13H2,1-2H3
InChIKeyVAWZTCDOIHPBCV-UHFFFAOYSA-N
XLogP1.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)-2-methoxybutan-1-amine
CID 116715202
1-(2,4-difluorophenyl)propane-1,2-diamine
CID 20546527
(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine
CID 28973274
(2,4-difluorophenyl)methanediamine
CID 116939170
2-(2,4-difluorophenyl)-2-methoxyethanamine
CID 53276228
1-(2,4-difluorophenyl)-2-methylbutane-1,4-diamine
CID 116934030
(1S,2R)-1-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-ol
CID 171266705
(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867795
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16783272
(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
CID 171160265

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine (CID 79492526) is 1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine is COC(OC)C(N)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine?
The InChIKey is VAWZTCDOIHPBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-14-10(15-2)9(13)7-4-3-6(11)5-8(7)12/h3-5,9-10H,13H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine?
1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine has a molecular weight of 217.22 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2,2-dimethoxyethanamine is sourced from PubChem (CID 79492526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).