2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol

C20H20BrNO3 — CID 78870232

IUPAC2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol
SMILESOC(CNCc1ccc(OCc2ccccc2)c(Br)c1)c1ccco1
InChIInChI=1S/C20H20BrNO3/c21-17-11-16(12-22-13-18(23)20-7-4-10-24-20)8-9-19(17)25-14-15-5-2-1-3-6-15/h1-11,18,22-23H,12-14H2
InChIKeyYNLVHMCJVKBSOG-UHFFFAOYSA-N
MW402.29 g/mol
LogP4.44
Rot. Bonds8

About 2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol

2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol (PubChem CID 78870232) has the molecular formula C20H20BrNO3 and a molecular weight of 402.29 g/mol. Its IUPAC name is 2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol
PubChem CID78870232
Molecular FormulaC20H20BrNO3
Molecular Weight402.29 g/mol
Exact Mass401.06
IUPAC Name2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol
SMILESOC(CNCc1ccc(OCc2ccccc2)c(Br)c1)c1ccco1
InChIInChI=1S/C20H20BrNO3/c21-17-11-16(12-22-13-18(23)20-7-4-10-24-20)8-9-19(17)25-14-15-5-2-1-3-6-15/h1-11,18,22-23H,12-14H2
InChIKeyYNLVHMCJVKBSOG-UHFFFAOYSA-N
XLogP4.44
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride
CID 17156869
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]ethanol
CID 17157109
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine
CID 117493046
4-[[(3-bromo-4-phenylmethoxyphenyl)methylamino]methyl]benzoic acid
CID 17158211
(2S)-1-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 29188023
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]pentan-1-amine
CID 17157671
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]pentan-1-amine;hydrochloride
CID 17157670
N'-[(3-bromo-4-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215801
2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol
CID 110888245
(1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 27155496
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17209158

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol?
The IUPAC name of 2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol (CID 78870232) is 2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol is OC(CNCc1ccc(OCc2ccccc2)c(Br)c1)c1ccco1.
What is the InChIKey of 2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol?
The InChIKey is YNLVHMCJVKBSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrNO3/c21-17-11-16(12-22-13-18(23)20-7-4-10-24-20)8-9-19(17)25-14-15-5-2-1-3-6-15/h1-11,18,22-23H,12-14H2.
What are the key properties of 2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol?
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol has a molecular weight of 402.29 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 78870232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).