2-[(2,3-difluorophenyl)methylidene]-N-ethyl-3-methylbutan-1-amine

C14H19F2N — CID 79339697

IUPAC2-[(2,3-difluorophenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(=Cc1cccc(F)c1F)C(C)C
InChIInChI=1S/C14H19F2N/c1-4-17-9-12(10(2)3)8-11-6-5-7-13(15)14(11)16/h5-8,10,17H,4,9H2,1-3H3
InChIKeyXRWKNGDFMOXRGM-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.61
Rot. Bonds5

About 2-[(2,3-difluorophenyl)methylidene]-N-ethyl-3-methylbutan-1-amine

2-[(2,3-difluorophenyl)methylidene]-N-ethyl-3-methylbutan-1-amine (PubChem CID 79339697) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methylidene]-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
PubChem CID79339697
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[(2,3-difluorophenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(=Cc1cccc(F)c1F)C(C)C
InChIInChI=1S/C14H19F2N/c1-4-17-9-12(10(2)3)8-11-6-5-7-13(15)14(11)16/h5-8,10,17H,4,9H2,1-3H3
InChIKeyXRWKNGDFMOXRGM-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(chloromethyl)-3-methylbut-1-enyl]-2,3-difluorobenzene
CID 79334024
2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79339795
N-ethyl-3-methyl-2-[(2-propan-2-yloxyphenyl)methylidene]butan-1-amine
CID 79339603
2-[(3-ethoxy-2-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
CID 79339431
(2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine
CID 103348760
N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79338705
(2E)-2-[(3-chloro-2-fluorophenyl)methylidene]-N-ethylbutan-1-amine
CID 114489335
2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79347760
N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79339792
2-[(2,3-difluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 62528560
N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine
CID 79339427
(2E)-2-[(5-fluoro-2-methylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 114075399

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methylidene]-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 2-[(2,3-difluorophenyl)methylidene]-N-ethyl-3-methylbutan-1-amine (CID 79339697) is 2-[(2,3-difluorophenyl)methylidene]-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methylidene]-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 2-[(2,3-difluorophenyl)methylidene]-N-ethyl-3-methylbutan-1-amine is CCNCC(=Cc1cccc(F)c1F)C(C)C.
What is the InChIKey of 2-[(2,3-difluorophenyl)methylidene]-N-ethyl-3-methylbutan-1-amine?
The InChIKey is XRWKNGDFMOXRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-4-17-9-12(10(2)3)8-11-6-5-7-13(15)14(11)16/h5-8,10,17H,4,9H2,1-3H3.
What are the key properties of 2-[(2,3-difluorophenyl)methylidene]-N-ethyl-3-methylbutan-1-amine?
2-[(2,3-difluorophenyl)methylidene]-N-ethyl-3-methylbutan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methylidene]-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 79339697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).