N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine

C22H24FNO2 — CID 55738362

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine
SMILESCC(C)OCc1ccc(CNCc2ccc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C22H24FNO2/c1-16(2)25-15-18-5-3-17(4-6-18)13-24-14-21-11-12-22(26-21)19-7-9-20(23)10-8-19/h3-12,16,24H,13-15H2,1-2H3
InChIKeyKDUQXIZHSVKSHD-UHFFFAOYSA-N
MW353.44 g/mol
LogP5.30
Rot. Bonds8

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

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine (PubChem CID 55738362) has the molecular formula C22H24FNO2 and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine
PubChem CID55738362
Molecular FormulaC22H24FNO2
Molecular Weight353.44 g/mol
Exact Mass353.18
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine
SMILESCC(C)OCc1ccc(CNCc2ccc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C22H24FNO2/c1-16(2)25-15-18-5-3-17(4-6-18)13-24-14-21-11-12-22(26-21)19-7-9-20(23)10-8-19/h3-12,16,24H,13-15H2,1-2H3
InChIKeyKDUQXIZHSVKSHD-UHFFFAOYSA-N
XLogP5.30
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.44
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 4723780
4-[5-[[(4-fluorophenyl)methylamino]methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17056095
3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-2-methylpropanenitrile
CID 62648146
1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 61034800
1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725011
(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol
CID 79253494
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723536
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine
CID 60663627
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 55387081
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylbut-2-en-1-amine
CID 106180699
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine
CID 4723512
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine
CID 43080703

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine (CID 55738362) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine is CC(C)OCc1ccc(CNCc2ccc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine?
The InChIKey is KDUQXIZHSVKSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO2/c1-16(2)25-15-18-5-3-17(4-6-18)13-24-14-21-11-12-22(26-21)19-7-9-20(23)10-8-19/h3-12,16,24H,13-15H2,1-2H3.
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine has a molecular weight of 353.44 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine is sourced from PubChem (CID 55738362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).