N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine

C18H15BrFNO — CID 4723780

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2ccc(-c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C18H15BrFNO/c19-15-5-3-14(4-6-15)18-10-9-17(22-18)12-21-11-13-1-7-16(20)8-2-13/h1-10,21H,11-12H2
InChIKeyFGQLVZAOSIQODW-UHFFFAOYSA-N
MW360.23 g/mol
LogP5.14
Rot. Bonds5

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 4723780) has the molecular formula C18H15BrFNO and a molecular weight of 360.23 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine
PubChem CID4723780
Molecular FormulaC18H15BrFNO
Molecular Weight360.23 g/mol
Exact Mass359.03
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2ccc(-c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C18H15BrFNO/c19-15-5-3-14(4-6-15)18-10-9-17(22-18)12-21-11-13-1-7-16(20)8-2-13/h1-10,21H,11-12H2
InChIKeyFGQLVZAOSIQODW-UHFFFAOYSA-N
XLogP5.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.23
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[[(4-fluorophenyl)methylamino]methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17056095
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine
CID 55738362
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723536
1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 61034800
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 55387081
1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine
CID 60658991
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride
CID 17208659
N-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride
CID 17332235
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride
CID 71611175
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine
CID 60663627

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine (CID 4723780) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine is Fc1ccc(CNCc2ccc(-c3ccc(Br)cc3)o2)cc1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is FGQLVZAOSIQODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFNO/c19-15-5-3-14(4-6-15)18-10-9-17(22-18)12-21-11-13-1-7-16(20)8-2-13/h1-10,21H,11-12H2.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 360.23 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 4723780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).