2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine

C13H17F2N — CID 79339685

IUPAC2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine
SMILESCNCC(=Cc1ccc(F)cc1F)C(C)C
InChIInChI=1S/C13H17F2N/c1-9(2)11(8-16-3)6-10-4-5-12(14)7-13(10)15/h4-7,9,16H,8H2,1-3H3
InChIKeyKOSMGUSPWTUNRK-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.22
Rot. Bonds4

About 2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine

2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine (PubChem CID 79339685) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine
PubChem CID79339685
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine
SMILESCNCC(=Cc1ccc(F)cc1F)C(C)C
InChIInChI=1S/C13H17F2N/c1-9(2)11(8-16-3)6-10-4-5-12(14)7-13(10)15/h4-7,9,16H,8H2,1-3H3
InChIKeyKOSMGUSPWTUNRK-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine
CID 54775722
2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol
CID 79334533
3-(2,4-difluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79340897
2-[2-(chloromethyl)-3-methylbut-1-enyl]-1,4-difluorobenzene
CID 79335632
(2E)-2-[(5-fluoro-2-methylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 114075399
2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol
CID 79334653
2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339514
1-(2,2-dibromoethenyl)-2,4-difluorobenzene
CID 82363001
N,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine
CID 79339151
(E)-4-(4-fluoro-2-methylphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093148
(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid
CID 22292345
(E)-2-acetamido-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 96843017

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine (CID 79339685) is 2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine is CNCC(=Cc1ccc(F)cc1F)C(C)C.
What is the InChIKey of 2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine?
The InChIKey is KOSMGUSPWTUNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9(2)11(8-16-3)6-10-4-5-12(14)7-13(10)15/h4-7,9,16H,8H2,1-3H3.
What are the key properties of 2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine?
2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 79339685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).