2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine

C15H22FNO — CID 79330355

IUPAC2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCCC(=Cc1ccc(OC)c(F)c1)CNC(C)C
InChIInChI=1S/C15H22FNO/c1-5-12(10-17-11(2)3)8-13-6-7-15(18-4)14(16)9-13/h6-9,11,17H,5,10H2,1-4H3
InChIKeyGLFVTCRHGBQJCU-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.63
Rot. Bonds6

About 2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine

2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine (PubChem CID 79330355) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine
PubChem CID79330355
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCCC(=Cc1ccc(OC)c(F)c1)CNC(C)C
InChIInChI=1S/C15H22FNO/c1-5-12(10-17-11(2)3)8-13-6-7-15(18-4)14(16)9-13/h6-9,11,17H,5,10H2,1-4H3
InChIKeyGLFVTCRHGBQJCU-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79329580
N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79338705
2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79329371
2-benzylidene-N-propan-2-ylbutan-1-amine
CID 79329110
2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79329105
2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine
CID 79330304
2-(furan-3-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79329909
2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79339633
3-(3-bromo-4-methoxyphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340521
3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79341026
4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene
CID 79323277
N-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine
CID 79328770

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine (CID 79330355) is 2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine is CCC(=Cc1ccc(OC)c(F)c1)CNC(C)C.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine?
The InChIKey is GLFVTCRHGBQJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-5-12(10-17-11(2)3)8-13-6-7-15(18-4)14(16)9-13/h6-9,11,17H,5,10H2,1-4H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine?
2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79330355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).