2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]-N,3-dimethylbutan-1-amine

C16H23F2NO — CID 79339060

IUPAC2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]-N,3-dimethylbutan-1-amine
SMILESCNCC(=Cc1cc(C)c(OC(F)F)c(C)c1)C(C)C
InChIInChI=1S/C16H23F2NO/c1-10(2)14(9-19-5)8-13-6-11(3)15(12(4)7-13)20-16(17)18/h6-8,10,16,19H,9H2,1-5H3
InChIKeyVJBJABWPJQYIHW-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.16
Rot. Bonds6

About 2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]-N,3-dimethylbutan-1-amine

2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]-N,3-dimethylbutan-1-amine (PubChem CID 79339060) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]-N,3-dimethylbutan-1-amine
PubChem CID79339060
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]-N,3-dimethylbutan-1-amine
SMILESCNCC(=Cc1cc(C)c(OC(F)F)c(C)c1)C(C)C
InChIInChI=1S/C16H23F2NO/c1-10(2)14(9-19-5)8-13-6-11(3)15(12(4)7-13)20-16(17)18/h6-8,10,16,19H,9H2,1-5H3
InChIKeyVJBJABWPJQYIHW-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine
CID 79339151
N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine
CID 79339946
1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone
CID 131525563
4-[4-(difluoromethoxy)-3,5-dimethylphenyl]but-3-en-1-amine
CID 76997188
[4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546431
(2R)-2-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]propanoic acid
CID 97234306
(Z)-3-[4-(difluoromethoxy)-3,5-dimethylphenyl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 8855587
N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide
CID 119499066
3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249228
(Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]azanium
CID 11935922
4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde
CID 171027705
1-(bromomethyl)-5-chloro-2-(difluoromethoxy)-3-methylbenzene
CID 131311635

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]-N,3-dimethylbutan-1-amine (CID 79339060) is 2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]-N,3-dimethylbutan-1-amine is CNCC(=Cc1cc(C)c(OC(F)F)c(C)c1)C(C)C.
What is the InChIKey of 2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]-N,3-dimethylbutan-1-amine?
The InChIKey is VJBJABWPJQYIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-10(2)14(9-19-5)8-13-6-11(3)15(12(4)7-13)20-16(17)18/h6-8,10,16,19H,9H2,1-5H3.
What are the key properties of 2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]-N,3-dimethylbutan-1-amine?
2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]-N,3-dimethylbutan-1-amine has a molecular weight of 283.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 79339060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).