4-(3-bromo-2-ethylphenyl)-5-(methylamino)-2-naphthalen-1-ylfuran-3-ol

C23H20BrNO2 — CID 54179756

IUPAC4-(3-bromo-2-ethylphenyl)-5-(methylamino)-2-naphthalen-1-ylfuran-3-ol
SMILESCCc1c(Br)cccc1-c1c(NC)oc(-c2cccc3ccccc23)c1O
InChIInChI=1S/C23H20BrNO2/c1-3-15-17(11-7-13-19(15)24)20-21(26)22(27-23(20)25-2)18-12-6-9-14-8-4-5-10-16(14)18/h4-13,25-26H,3H2,1-2H3
InChIKeyPAZCDMFPVYEKIL-UHFFFAOYSA-N
MW422.32 g/mol
LogP6.84
Rot. Bonds4

About 4-(3-bromo-2-ethylphenyl)-5-(methylamino)-2-naphthalen-1-ylfuran-3-ol

4-(3-bromo-2-ethylphenyl)-5-(methylamino)-2-naphthalen-1-ylfuran-3-ol (PubChem CID 54179756) has the molecular formula C23H20BrNO2 and a molecular weight of 422.32 g/mol. Its IUPAC name is 4-(3-bromo-2-ethylphenyl)-5-(methylamino)-2-naphthalen-1-ylfuran-3-ol.

Molecular Properties

Compound Name4-(3-bromo-2-ethylphenyl)-5-(methylamino)-2-naphthalen-1-ylfuran-3-ol
PubChem CID54179756
Molecular FormulaC23H20BrNO2
Molecular Weight422.32 g/mol
Exact Mass421.07
IUPAC Name4-(3-bromo-2-ethylphenyl)-5-(methylamino)-2-naphthalen-1-ylfuran-3-ol
SMILESCCc1c(Br)cccc1-c1c(NC)oc(-c2cccc3ccccc23)c1O
InChIInChI=1S/C23H20BrNO2/c1-3-15-17(11-7-13-19(15)24)20-21(26)22(27-23(20)25-2)18-12-6-9-14-8-4-5-10-16(14)18/h4-13,25-26H,3H2,1-2H3
InChIKeyPAZCDMFPVYEKIL-UHFFFAOYSA-N
XLogP6.84
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-(3-bromo-2-ethylphenyl)-1-methyl-2-naphthalen-1-ylpyrrol-3-ol
CID 54540333
methyl 2-bromo-3-[4-hydroxy-2-(methylamino)-5-phenylfuran-3-yl]benzoate
CID 54121663
[4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate
CID 90080934
1-bromonaphthalene;methanamine
CID 143041720
5-ethyl-2,3-dihydroxy-6-methyl-4-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one
CID 166897880
6-amino-3-bromo-2-naphthalen-1-ylphenol
CID 67804184
2-bromo-1-naphthalen-1-ylnaphthalene
CID 620109
1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
CID 18454866
3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran
CID 167273811
1-bromo-6-naphthalen-1-yldibenzofuran
CID 134401872
butane;N-methylmethanamine;naphthalen-1-ol
CID 54239131
1-bromonaphthalene;formic acid
CID 174427536

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-ethylphenyl)-5-(methylamino)-2-naphthalen-1-ylfuran-3-ol?
The IUPAC name of 4-(3-bromo-2-ethylphenyl)-5-(methylamino)-2-naphthalen-1-ylfuran-3-ol (CID 54179756) is 4-(3-bromo-2-ethylphenyl)-5-(methylamino)-2-naphthalen-1-ylfuran-3-ol.
What is the SMILES notation for 4-(3-bromo-2-ethylphenyl)-5-(methylamino)-2-naphthalen-1-ylfuran-3-ol?
The canonical SMILES for 4-(3-bromo-2-ethylphenyl)-5-(methylamino)-2-naphthalen-1-ylfuran-3-ol is CCc1c(Br)cccc1-c1c(NC)oc(-c2cccc3ccccc23)c1O.
What is the InChIKey of 4-(3-bromo-2-ethylphenyl)-5-(methylamino)-2-naphthalen-1-ylfuran-3-ol?
The InChIKey is PAZCDMFPVYEKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrNO2/c1-3-15-17(11-7-13-19(15)24)20-21(26)22(27-23(20)25-2)18-12-6-9-14-8-4-5-10-16(14)18/h4-13,25-26H,3H2,1-2H3.
What are the key properties of 4-(3-bromo-2-ethylphenyl)-5-(methylamino)-2-naphthalen-1-ylfuran-3-ol?
4-(3-bromo-2-ethylphenyl)-5-(methylamino)-2-naphthalen-1-ylfuran-3-ol has a molecular weight of 422.32 g/mol, XLogP of 6.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-ethylphenyl)-5-(methylamino)-2-naphthalen-1-ylfuran-3-ol is sourced from PubChem (CID 54179756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).