N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine

C20H19BrFNO3 — CID 66534705

IUPACN-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine
SMILESCOc1cc(CNCc2ccco2)c(Br)cc1OCc1ccccc1F
InChIInChI=1S/C20H19BrFNO3/c1-24-19-9-15(11-23-12-16-6-4-8-25-16)17(21)10-20(19)26-13-14-5-2-3-7-18(14)22/h2-10,23H,11-13H2,1H3
InChIKeyQSIJNTZFMMLRSK-UHFFFAOYSA-N
MW420.28 g/mol
LogP5.06
Rot. Bonds8

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

N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine (PubChem CID 66534705) has the molecular formula C20H19BrFNO3 and a molecular weight of 420.28 g/mol. Its IUPAC name is N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine
PubChem CID66534705
Molecular FormulaC20H19BrFNO3
Molecular Weight420.28 g/mol
Exact Mass419.05
IUPAC NameN-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine
SMILESCOc1cc(CNCc2ccco2)c(Br)cc1OCc1ccccc1F
InChIInChI=1S/C20H19BrFNO3/c1-24-19-9-15(11-23-12-16-6-4-8-25-16)17(21)10-20(19)26-13-14-5-2-3-7-18(14)22/h2-10,23H,11-13H2,1H3
InChIKeyQSIJNTZFMMLRSK-UHFFFAOYSA-N
XLogP5.06
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.28
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 66534663
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 6464080
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-(furan-2-yl)methanamine
CID 66533189
N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-butoxypropan-1-amine
CID 66534758
2-[5-bromo-4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]-N-tert-butylacetamide
CID 66535022
N-[[2-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 66535129
2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 883669
N-[[2-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 66535002
N'-[[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 66537888
2-[[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66533045
1-[3-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one
CID 66534802
1-(1,3-benzodioxol-5-yl)-N-[[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]methanamine
CID 66533150

Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine (CID 66534705) is N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine is COc1cc(CNCc2ccco2)c(Br)cc1OCc1ccccc1F.
What is the InChIKey of N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine?
The InChIKey is QSIJNTZFMMLRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFNO3/c1-24-19-9-15(11-23-12-16-6-4-8-25-16)17(21)10-20(19)26-13-14-5-2-3-7-18(14)22/h2-10,23H,11-13H2,1H3.
What are the key properties of N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine?
N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine has a molecular weight of 420.28 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 66534705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).