2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol

C13H21BrN2O2 — CID 39317876

IUPAC2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol
SMILESCN(C)CCOc1ccc(Br)cc1CNCCO
InChIInChI=1S/C13H21BrN2O2/c1-16(2)6-8-18-13-4-3-12(14)9-11(13)10-15-5-7-17/h3-4,9,15,17H,5-8,10H2,1-2H3
InChIKeyVXJPCYBEIVFHPI-UHFFFAOYSA-N
MW317.23 g/mol
LogP1.47
Rot. Bonds8

About 2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol

2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol (PubChem CID 39317876) has the molecular formula C13H21BrN2O2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol
PubChem CID39317876
Molecular FormulaC13H21BrN2O2
Molecular Weight317.23 g/mol
Exact Mass316.08
IUPAC Name2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol
SMILESCN(C)CCOc1ccc(Br)cc1CNCCO
InChIInChI=1S/C13H21BrN2O2/c1-16(2)6-8-18-13-4-3-12(14)9-11(13)10-15-5-7-17/h3-4,9,15,17H,5-8,10H2,1-2H3
InChIKeyVXJPCYBEIVFHPI-UHFFFAOYSA-N
XLogP1.47
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 51.47
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

N-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
CID 43277624
5-[4-bromo-2-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62228969
6-[4-bromo-2-(propylaminomethyl)phenoxy]hexan-1-ol
CID 107702343
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220482
N-[(5-bromo-2-butoxyphenyl)methyl]propan-1-amine
CID 43277546
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103952831
2-[2-[4-bromo-2-(ethylaminomethyl)phenoxy]ethoxy]ethanol
CID 61069948
3-[4-bromo-2-(propylaminomethyl)phenoxy]propanamide
CID 43277541
2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol
CID 39291383
N-[(5-bromo-2-propoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843787
N-[(5-bromo-2-heptoxyphenyl)methyl]propan-1-amine
CID 43277545
2-[2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol
CID 4720668

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol?
The IUPAC name of 2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol (CID 39317876) is 2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol is CN(C)CCOc1ccc(Br)cc1CNCCO.
What is the InChIKey of 2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol?
The InChIKey is VXJPCYBEIVFHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2/c1-16(2)6-8-18-13-4-3-12(14)9-11(13)10-15-5-7-17/h3-4,9,15,17H,5-8,10H2,1-2H3.
What are the key properties of 2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol?
2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol has a molecular weight of 317.23 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol is sourced from PubChem (CID 39317876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).