2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine

C16H24FN — CID 79339124

IUPAC2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(=Cc1ccc(F)cc1)C(C)C
InChIInChI=1S/C16H24FN/c1-12(2)10-18-11-15(13(3)4)9-14-5-7-16(17)8-6-14/h5-9,12-13,18H,10-11H2,1-4H3
InChIKeyDINLRMQAZVYSEX-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.11
Rot. Bonds6

About 2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine

2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 79339124) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID79339124
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(=Cc1ccc(F)cc1)C(C)C
InChIInChI=1S/C16H24FN/c1-12(2)10-18-11-15(13(3)4)9-14-5-7-16(17)8-6-14/h5-9,12-13,18H,10-11H2,1-4H3
InChIKeyDINLRMQAZVYSEX-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339393
2-[(3-fluoro-4-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339839
2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol
CID 79335798
2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339654
3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine
CID 79342888
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79342677
(2E)-2-[(3-cyclopropylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79976727
2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine
CID 79337574
3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337268
(2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine
CID 81311351
3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338174
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 79339124) is 2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(=Cc1ccc(F)cc1)C(C)C.
What is the InChIKey of 2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is DINLRMQAZVYSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-12(2)10-18-11-15(13(3)4)9-14-5-7-16(17)8-6-14/h5-9,12-13,18H,10-11H2,1-4H3.
What are the key properties of 2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 79339124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).