2-[2-[[(4-bromophenyl)-(furan-2-yl)methyl]amino]ethoxy]ethanol

C15H18BrNO3 — CID 110013011

IUPAC2-[2-[[(4-bromophenyl)-(furan-2-yl)methyl]amino]ethoxy]ethanol
SMILESOCCOCCNC(c1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C15H18BrNO3/c16-13-5-3-12(4-6-13)15(14-2-1-9-20-14)17-7-10-19-11-8-18/h1-6,9,15,17-18H,7-8,10-11H2
InChIKeyXAVMNMDQLXBRES-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.73
Rot. Bonds8

About 2-[2-[[(4-bromophenyl)-(furan-2-yl)methyl]amino]ethoxy]ethanol

2-[2-[[(4-bromophenyl)-(furan-2-yl)methyl]amino]ethoxy]ethanol (PubChem CID 110013011) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-[2-[[(4-bromophenyl)-(furan-2-yl)methyl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[(4-bromophenyl)-(furan-2-yl)methyl]amino]ethoxy]ethanol
PubChem CID110013011
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name2-[2-[[(4-bromophenyl)-(furan-2-yl)methyl]amino]ethoxy]ethanol
SMILESOCCOCCNC(c1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C15H18BrNO3/c16-13-5-3-12(4-6-13)15(14-2-1-9-20-14)17-7-10-19-11-8-18/h1-6,9,15,17-18H,7-8,10-11H2
InChIKeyXAVMNMDQLXBRES-UHFFFAOYSA-N
XLogP2.73
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol
CID 110878023
N-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 75449533
N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 81290836
2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
CID 17155127
N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 104851281
N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine
CID 62796998
1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 61483869
2-[2-[1-(4-phenylphenyl)ethylamino]ethoxy]ethanol
CID 43207514
N-[(4-ethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489388
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
1-(4-bromophenyl)-N-(2-propoxyethyl)ethanamine
CID 106451818
N-[(5-bromo-2-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43493888

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4-bromophenyl)-(furan-2-yl)methyl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[(4-bromophenyl)-(furan-2-yl)methyl]amino]ethoxy]ethanol (CID 110013011) is 2-[2-[[(4-bromophenyl)-(furan-2-yl)methyl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[(4-bromophenyl)-(furan-2-yl)methyl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[(4-bromophenyl)-(furan-2-yl)methyl]amino]ethoxy]ethanol is OCCOCCNC(c1ccc(Br)cc1)c1ccco1.
What is the InChIKey of 2-[2-[[(4-bromophenyl)-(furan-2-yl)methyl]amino]ethoxy]ethanol?
The InChIKey is XAVMNMDQLXBRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3/c16-13-5-3-12(4-6-13)15(14-2-1-9-20-14)17-7-10-19-11-8-18/h1-6,9,15,17-18H,7-8,10-11H2.
What are the key properties of 2-[2-[[(4-bromophenyl)-(furan-2-yl)methyl]amino]ethoxy]ethanol?
2-[2-[[(4-bromophenyl)-(furan-2-yl)methyl]amino]ethoxy]ethanol has a molecular weight of 340.22 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4-bromophenyl)-(furan-2-yl)methyl]amino]ethoxy]ethanol is sourced from PubChem (CID 110013011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).