1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol

C15H24BrNO2 — CID 62908872

IUPAC1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol
SMILESCOCCN(CC(C)C)c1ccc(C(C)O)cc1Br
InChIInChI=1S/C15H24BrNO2/c1-11(2)10-17(7-8-19-4)15-6-5-13(12(3)18)9-14(15)16/h5-6,9,11-12,18H,7-8,10H2,1-4H3
InChIKeyLSGSPLWQBANXMX-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.61
Rot. Bonds7

About 1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol

1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol (PubChem CID 62908872) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol
PubChem CID62908872
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol
SMILESCOCCN(CC(C)C)c1ccc(C(C)O)cc1Br
InChIInChI=1S/C15H24BrNO2/c1-11(2)10-17(7-8-19-4)15-6-5-13(12(3)18)9-14(15)16/h5-6,9,11-12,18H,7-8,10H2,1-4H3
InChIKeyLSGSPLWQBANXMX-UHFFFAOYSA-N
XLogP3.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[3-bromo-4-[2-hydroxyethyl(2-methoxyethyl)amino]phenyl]ethanol
CID 113467856
(1S)-1-[3-bromo-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82950797
(1R)-1-[3-bromo-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanol
CID 63372750
3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]benzaldehyde
CID 114062183
1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol
CID 62909901
(1S)-1-[3-bromo-4-(diethylamino)phenyl]ethanol
CID 78939147
(1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 63371146
2-bromo-N-ethyl-N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]aniline
CID 55131115
(1R)-1-[3-bromo-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanol
CID 79483552
1-[3-bromo-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol
CID 63541259
1-[2-bromo-4-[(1R)-1-hydroxyethyl]-N-methylanilino]propan-2-ol
CID 63371869
1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
CID 62910072

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol?
The IUPAC name of 1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol (CID 62908872) is 1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol is COCCN(CC(C)C)c1ccc(C(C)O)cc1Br.
What is the InChIKey of 1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol?
The InChIKey is LSGSPLWQBANXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-11(2)10-17(7-8-19-4)15-6-5-13(12(3)18)9-14(15)16/h5-6,9,11-12,18H,7-8,10H2,1-4H3.
What are the key properties of 1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol?
1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol has a molecular weight of 330.27 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol is sourced from PubChem (CID 62908872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).