1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine

C13H19F2N — CID 43491007

IUPAC1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNC(c1ccc(F)cc1F)C(C)(C)C
InChIInChI=1S/C13H19F2N/c1-5-16-12(13(2,3)4)10-7-6-9(14)8-11(10)15/h6-8,12,16H,5H2,1-4H3
InChIKeyBDJSAYAFWGBIKR-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.66
Rot. Bonds3

About 1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine

1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 43491007) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID43491007
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNC(c1ccc(F)cc1F)C(C)(C)C
InChIInChI=1S/C13H19F2N/c1-5-16-12(13(2,3)4)10-7-6-9(14)8-11(10)15/h6-8,12,16H,5H2,1-4H3
InChIKeyBDJSAYAFWGBIKR-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 115854269
1-(4-chloro-2,5-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 115854210
1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 63419715
5-[[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]methyl]-3H-1,3,4-thiadiazol-2-one
CID 122133986
1-(2,4-difluorophenyl)-N-ethyl-2-methoxyethanamine
CID 62801049
1-(2,4-difluorophenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79093891
1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
CID 63084221
1-N-ethyl-1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053416
1-N,2-N,2-N-triethyl-1-(4-fluoro-2-methylphenyl)-2-methylpropane-1,2-diamine
CID 79056921
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride
CID 119816056
N-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide
CID 97070029

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine (CID 43491007) is 1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine is CCNC(c1ccc(F)cc1F)C(C)(C)C.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is BDJSAYAFWGBIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-5-16-12(13(2,3)4)10-7-6-9(14)8-11(10)15/h6-8,12,16H,5H2,1-4H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 43491007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).