2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride

C11H19BrCl2N2O — CID 17294481

IUPAC2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCNCc1ccc(Br)cc1
InChIInChI=1S/C11H17BrN2O.2ClH/c12-11-3-1-10(2-4-11)9-14-6-5-13-7-8-15;;/h1-4,13-15H,5-9H2;2*1H
InChIKeyGKKFGQFJSKAODD-UHFFFAOYSA-N
MW346.10 g/mol
LogP1.96
Rot. Bonds7

About 2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride

2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride (PubChem CID 17294481) has the molecular formula C11H19BrCl2N2O and a molecular weight of 346.10 g/mol. Its IUPAC name is 2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride
PubChem CID17294481
Molecular FormulaC11H19BrCl2N2O
Molecular Weight346.10 g/mol
Exact Mass344.01
IUPAC Name2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCNCc1ccc(Br)cc1
InChIInChI=1S/C11H17BrN2O.2ClH/c12-11-3-1-10(2-4-11)9-14-6-5-13-7-8-15;;/h1-4,13-15H,5-9H2;2*1H
InChIKeyGKKFGQFJSKAODD-UHFFFAOYSA-N
XLogP1.96
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.10
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)methylamino]ethanol;hydrochloride
CID 2950588
2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
CID 17155127
2-[(3-bromophenyl)methylamino]ethanol;hydrochloride
CID 2960455
2-[(3,4-dibromophenyl)methylamino]ethanol
CID 75525100
N-[2-[(4-bromophenyl)methylamino]ethyl]acetamide
CID 28684406
4-[2-[(4-bromophenyl)methylamino]ethyl]phenol
CID 61236714
2-[(4-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17292349
2-[(3-bromophenyl)methylamino]ethanol chloride
CID 53350733
4-[(4-bromophenyl)methylamino]butanamide
CID 60865006
2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol
CID 115250747
2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
CID 87137347
2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol
CID 22006364

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride (CID 17294481) is 2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride is Cl.Cl.OCCNCCNCc1ccc(Br)cc1.
What is the InChIKey of 2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride?
The InChIKey is GKKFGQFJSKAODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O.2ClH/c12-11-3-1-10(2-4-11)9-14-6-5-13-7-8-15;;/h1-4,13-15H,5-9H2;2*1H.
What are the key properties of 2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride?
2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride has a molecular weight of 346.10 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride is sourced from PubChem (CID 17294481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).