1-(2,6-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine

C12H15F2N — CID 79522808

IUPAC1-(2,6-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)C(NCC)c1c(F)cccc1F
InChIInChI=1S/C12H15F2N/c1-4-15-12(8(2)3)11-9(13)6-5-7-10(11)14/h5-7,12,15H,2,4H2,1,3H3
InChIKeyIIPKDELFVOPEPN-UHFFFAOYSA-N
MW211.25 g/mol
LogP3.19
Rot. Bonds4

About 1-(2,6-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine

1-(2,6-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 79522808) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID79522808
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name1-(2,6-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)C(NCC)c1c(F)cccc1F
InChIInChI=1S/C12H15F2N/c1-4-15-12(8(2)3)11-9(13)6-5-7-10(11)14/h5-7,12,15H,2,4H2,1,3H3
InChIKeyIIPKDELFVOPEPN-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 105005647
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79177729
N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 79522408
1-(2,6-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 79523146
1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005147
1-(2,6-difluorophenyl)-N-ethylpentan-1-amine
CID 79405772
4-[1-(ethylamino)-2-methylprop-2-enyl]-N,N-dimethylaniline
CID 105163820
[1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine
CID 105246729
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 83161275
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
N-[(2-chloro-3-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859759

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine (CID 79522808) is 1-(2,6-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine is C=C(C)C(NCC)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is IIPKDELFVOPEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-4-15-12(8(2)3)11-9(13)6-5-7-10(11)14/h5-7,12,15H,2,4H2,1,3H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine?
1-(2,6-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 211.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79522808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).