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

C17H16BrFN2 — CID 126089759

IUPACN-(4-bromophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
SMILESFc1cc(/C=N/c2ccc(Br)cc2)ccc1N1CCCC1
InChIInChI=1S/C17H16BrFN2/c18-14-4-6-15(7-5-14)20-12-13-3-8-17(16(19)11-13)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2/b20-12+
InChIKeyAHQURSLPOINHBV-UDWIEESQSA-N
MW347.23 g/mol
LogP4.94
Rot. Bonds3

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

N-(4-bromophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine (PubChem CID 126089759) has the molecular formula C17H16BrFN2 and a molecular weight of 347.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
PubChem CID126089759
Molecular FormulaC17H16BrFN2
Molecular Weight347.23 g/mol
Exact Mass346.05
IUPAC NameN-(4-bromophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
SMILESFc1cc(/C=N/c2ccc(Br)cc2)ccc1N1CCCC1
InChIInChI=1S/C17H16BrFN2/c18-14-4-6-15(7-5-14)20-12-13-3-8-17(16(19)11-13)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2/b20-12+
InChIKeyAHQURSLPOINHBV-UDWIEESQSA-N
XLogP4.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 54.94
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

1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(4-phenylphenyl)methanimine
CID 126076822
N-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126072584
N-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126072704
N-(4-butylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126080192
N-[4-(1-adamantyl)phenyl]-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126109573
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 126129820
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine
CID 126135963
N-(2,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126075339
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine
CID 126143320
N-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine
CID 126139532
(E)-2-(4-bromophenyl)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
CID 126077788
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine
CID 126145909

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine?
The IUPAC name of N-(4-bromophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine (CID 126089759) is N-(4-bromophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine?
The canonical SMILES for N-(4-bromophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine is Fc1cc(/C=N/c2ccc(Br)cc2)ccc1N1CCCC1.
What is the InChIKey of N-(4-bromophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine?
The InChIKey is AHQURSLPOINHBV-UDWIEESQSA-N. The full InChI is InChI=1S/C17H16BrFN2/c18-14-4-6-15(7-5-14)20-12-13-3-8-17(16(19)11-13)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2/b20-12+.
What are the key properties of N-(4-bromophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine?
N-(4-bromophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine has a molecular weight of 347.23 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine is sourced from PubChem (CID 126089759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).