N-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine

C18H18F2N2 — CID 126072704

IUPACN-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
SMILESCc1cc(/N=C/c2ccc(N3CCCC3)c(F)c2)ccc1F
InChIInChI=1S/C18H18F2N2/c1-13-10-15(5-6-16(13)19)21-12-14-4-7-18(17(20)11-14)22-8-2-3-9-22/h4-7,10-12H,2-3,8-9H2,1H3/b21-12+
InChIKeyBSUXKFORGSNZHE-CIAFOILYSA-N
MW300.35 g/mol
LogP4.62
Rot. Bonds3

About N-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine

N-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine (PubChem CID 126072704) has the molecular formula C18H18F2N2 and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
PubChem CID126072704
Molecular FormulaC18H18F2N2
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC NameN-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
SMILESCc1cc(/N=C/c2ccc(N3CCCC3)c(F)c2)ccc1F
InChIInChI=1S/C18H18F2N2/c1-13-10-15(5-6-16(13)19)21-12-14-4-7-18(17(20)11-14)22-8-2-3-9-22/h4-7,10-12H,2-3,8-9H2,1H3/b21-12+
InChIKeyBSUXKFORGSNZHE-CIAFOILYSA-N
XLogP4.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.62
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-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126072584
N-(4-bromophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126089759
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(4-phenylphenyl)methanimine
CID 126076822
N-(2,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126075339
N-(4-butylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126080192
N-(3-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine
CID 126130017
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine
CID 126135963
N-[4-(1-adamantyl)phenyl]-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126109573
methyl 3-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylbenzoate
CID 126107817
N-(4-chlorophenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine
CID 4589321
1-(3-methyl-4-pyrrolidin-1-ylphenyl)-N-phenylmethanimine
CID 23766843
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 126129820

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine (CID 126072704) is N-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine is Cc1cc(/N=C/c2ccc(N3CCCC3)c(F)c2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine?
The InChIKey is BSUXKFORGSNZHE-CIAFOILYSA-N. The full InChI is InChI=1S/C18H18F2N2/c1-13-10-15(5-6-16(13)19)21-12-14-4-7-18(17(20)11-14)22-8-2-3-9-22/h4-7,10-12H,2-3,8-9H2,1H3/b21-12+.
What are the key properties of N-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine?
N-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine has a molecular weight of 300.35 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine is sourced from PubChem (CID 126072704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).