2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol

C15H24BrNO4 — CID 66533831

IUPAC2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol
SMILESCCOc1cc(Br)c(CNCCOCCO)cc1OCC
InChIInChI=1S/C15H24BrNO4/c1-3-20-14-9-12(11-17-5-7-19-8-6-18)13(16)10-15(14)21-4-2/h9-10,17-18H,3-8,11H2,1-2H3
InChIKeyYVFWQSXPCAIHFP-UHFFFAOYSA-N
MW362.26 g/mol
LogP2.35
Rot. Bonds11

About 2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol

2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol (PubChem CID 66533831) has the molecular formula C15H24BrNO4 and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol
PubChem CID66533831
Molecular FormulaC15H24BrNO4
Molecular Weight362.26 g/mol
Exact Mass361.09
IUPAC Name2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol
SMILESCCOc1cc(Br)c(CNCCOCCO)cc1OCC
InChIInChI=1S/C15H24BrNO4/c1-3-20-14-9-12(11-17-5-7-19-8-6-18)13(16)10-15(14)21-4-2/h9-10,17-18H,3-8,11H2,1-2H3
InChIKeyYVFWQSXPCAIHFP-UHFFFAOYSA-N
XLogP2.35
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethoxy]ethanol
CID 43220975
2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol
CID 66532424
2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 66535713
2-[2-[[2-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethoxy]ethanol
CID 66533707
2-[2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
CID 66532270
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-3-butoxypropan-1-amine
CID 66535689
N-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-3-butoxypropan-1-amine
CID 66534132
2-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylamino]ethanol
CID 66532238
2-[2-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol
CID 66535164
2-[3-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]propylamino]ethanol
CID 66538402
2-[2-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethoxy]ethanol
CID 66534836
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-3-butoxypropan-1-amine
CID 66533789

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol (CID 66533831) is 2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol is CCOc1cc(Br)c(CNCCOCCO)cc1OCC.
What is the InChIKey of 2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol?
The InChIKey is YVFWQSXPCAIHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO4/c1-3-20-14-9-12(11-17-5-7-19-8-6-18)13(16)10-15(14)21-4-2/h9-10,17-18H,3-8,11H2,1-2H3.
What are the key properties of 2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol?
2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol has a molecular weight of 362.26 g/mol, XLogP of 2.35, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-bromo-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 66533831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).