2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol

C11H16BrNO2 — CID 17155127

IUPAC2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO2/c12-11-3-1-10(2-4-11)9-13-5-7-15-8-6-14/h1-4,13-14H,5-9H2
InChIKeySFMMTSNBHGAYCI-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.55
Rot. Bonds7

About 2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol

2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol (PubChem CID 17155127) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
PubChem CID17155127
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO2/c12-11-3-1-10(2-4-11)9-13-5-7-15-8-6-14/h1-4,13-14H,5-9H2
InChIKeySFMMTSNBHGAYCI-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
2-[(4-bromophenyl)methylamino]ethanol;hydrochloride
CID 2950588
N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584556
2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294481
N-[(4-bromophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618403
2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol
CID 107230613
2-[2-(furan-3-ylmethylamino)ethoxy]ethanol
CID 63032955
2-[2-[(3-fluoro-4-methylphenyl)methylamino]ethoxy]ethanol
CID 63646363
2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol
CID 62759524
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594890
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594464
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanol
CID 123132110

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol (CID 17155127) is 2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol is OCCOCCNCc1ccc(Br)cc1.
What is the InChIKey of 2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol?
The InChIKey is SFMMTSNBHGAYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c12-11-3-1-10(2-4-11)9-13-5-7-15-8-6-14/h1-4,13-14H,5-9H2.
What are the key properties of 2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol?
2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol has a molecular weight of 274.16 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 17155127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).