2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol

C13H20BrNO2 — CID 115216511

IUPAC2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol
SMILESCOc1ccc(Br)cc1C(C)(C)CNCCO
InChIInChI=1S/C13H20BrNO2/c1-13(2,9-15-6-7-16)11-8-10(14)4-5-12(11)17-3/h4-5,8,15-16H,6-7,9H2,1-3H3
InChIKeyCXMZAHOLBRLAGM-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.32
Rot. Bonds6

About 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol

2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol (PubChem CID 115216511) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol
PubChem CID115216511
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol
SMILESCOc1ccc(Br)cc1C(C)(C)CNCCO
InChIInChI=1S/C13H20BrNO2/c1-13(2,9-15-6-7-16)11-8-10(14)4-5-12(11)17-3/h4-5,8,15-16H,6-7,9H2,1-3H3
InChIKeyCXMZAHOLBRLAGM-UHFFFAOYSA-N
XLogP2.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.32
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

4-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]butanenitrile
CID 115232125
2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 115133750
1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257132
3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide
CID 115153147
3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol
CID 82306729
3-[[2-(5-bromo-2-methylphenyl)-2-methylpropyl]amino]propanoic acid
CID 115218391
2-(5-bromo-2-methylphenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263701
N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 115262514
(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol
CID 93189117
4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene
CID 84706055
3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propane-1-thiol
CID 115225320
3-(5-bromo-2-methoxyphenyl)-3-methylbutan-2-one
CID 82306037

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol?
The IUPAC name of 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol (CID 115216511) is 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol.
What is the SMILES notation for 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol?
The canonical SMILES for 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol is COc1ccc(Br)cc1C(C)(C)CNCCO.
What is the InChIKey of 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol?
The InChIKey is CXMZAHOLBRLAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-13(2,9-15-6-7-16)11-8-10(14)4-5-12(11)17-3/h4-5,8,15-16H,6-7,9H2,1-3H3.
What are the key properties of 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol?
2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol has a molecular weight of 302.21 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol is sourced from PubChem (CID 115216511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).