N-(3-fluorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine

C14H15FN2 — CID 50853782

IUPACN-(3-fluorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
SMILESCC(C)n1ccc(/C=N/c2cccc(F)c2)c1
InChIInChI=1S/C14H15FN2/c1-11(2)17-7-6-12(10-17)9-16-14-5-3-4-13(15)8-14/h3-11H,1-2H3/b16-9+
InChIKeyVBGPWQXUENEWNX-CXUHLZMHSA-N
MW230.29 g/mol
LogP3.96
Rot. Bonds3

About N-(3-fluorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine

N-(3-fluorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine (PubChem CID 50853782) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
PubChem CID50853782
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC NameN-(3-fluorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
SMILESCC(C)n1ccc(/C=N/c2cccc(F)c2)c1
InChIInChI=1S/C14H15FN2/c1-11(2)17-7-6-12(10-17)9-16-14-5-3-4-13(15)8-14/h3-11H,1-2H3/b16-9+
InChIKeyVBGPWQXUENEWNX-CXUHLZMHSA-N
XLogP3.96
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
CID 50853687
N-(3-nitrophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
CID 50854313
N-(3-fluorophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
CID 50854962
N-(4-butylphenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine
CID 50853887
methyl 2-methyl-3-[(1-propan-2-ylpyrrol-3-yl)methylideneamino]benzoate
CID 50854253
1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine
CID 23329229
N-(3-fluorophenyl)-1-(2,4,6-trifluorophenyl)methanimine
CID 23329282
3-[(3-fluorophenyl)iminomethyl]benzonitrile
CID 139246020
N-(3-fluorophenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
CID 50856275
[(Z)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]urea
CID 50853959
2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide
CID 23732371
2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide
CID 50854027

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine?
The IUPAC name of N-(3-fluorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine (CID 50853782) is N-(3-fluorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine.
What is the SMILES notation for N-(3-fluorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine?
The canonical SMILES for N-(3-fluorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine is CC(C)n1ccc(/C=N/c2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine?
The InChIKey is VBGPWQXUENEWNX-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H15FN2/c1-11(2)17-7-6-12(10-17)9-16-14-5-3-4-13(15)8-14/h3-11H,1-2H3/b16-9+.
What are the key properties of N-(3-fluorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine?
N-(3-fluorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine has a molecular weight of 230.29 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(1-propan-2-ylpyrrol-3-yl)methanimine is sourced from PubChem (CID 50853782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).