1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine

C11H15F2NO — CID 43177273

IUPAC1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO/c1-8(14-5-6-15-2)10-4-3-9(12)7-11(10)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyZXVDIWKMIZVBDU-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.26
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine

1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine (PubChem CID 43177273) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
PubChem CID43177273
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO/c1-8(14-5-6-15-2)10-4-3-9(12)7-11(10)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyZXVDIWKMIZVBDU-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol
CID 97050882
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62539902
N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine
CID 63826183
N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191889
N-[1-(2,4-difluorophenyl)ethyl]but-3-en-1-amine
CID 115899500
N-[1-(2,4-difluorophenyl)ethyl]-3-methylsulfanylbutan-1-amine
CID 113261034
N-[1-(2,4-difluorophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 113245730
2-[1-(2,4-difluorophenyl)ethylamino]-3-methoxypropan-1-ol
CID 114094254
(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082006
1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741
(2R)-1-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082005
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine (CID 43177273) is 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine is COCCNC(C)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is ZXVDIWKMIZVBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-8(14-5-6-15-2)10-4-3-9(12)7-11(10)13/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine?
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 215.24 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 43177273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).