2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol

C15H24BrNO2 — CID 115133750

IUPAC2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
SMILESCOc1ccc(Br)cc1C(C)(C)CNC(C)(C)CO
InChIInChI=1S/C15H24BrNO2/c1-14(2,9-17-15(3,4)10-18)12-8-11(16)6-7-13(12)19-5/h6-8,17-18H,9-10H2,1-5H3
InChIKeyHAWBHKBGMZWJGZ-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.10
Rot. Bonds6

About 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol

2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol (PubChem CID 115133750) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
PubChem CID115133750
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
SMILESCOc1ccc(Br)cc1C(C)(C)CNC(C)(C)CO
InChIInChI=1S/C15H24BrNO2/c1-14(2,9-17-15(3,4)10-18)12-8-11(16)6-7-13(12)19-5/h6-8,17-18H,9-10H2,1-5H3
InChIKeyHAWBHKBGMZWJGZ-UHFFFAOYSA-N
XLogP3.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]ethanol
CID 115216511
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
4-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]butanenitrile
CID 115232125
(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol
CID 93189117
4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene
CID 84706055
2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 66536812
3-(5-bromo-2-methoxyphenyl)-3-methylbutan-2-one
CID 82306037
2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol
CID 115133534
4-methoxy-3-[2-methyl-1-(methylamino)propan-2-yl]phenol
CID 105425938
4-bromo-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenol
CID 111421705

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol (CID 115133750) is 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol is COc1ccc(Br)cc1C(C)(C)CNC(C)(C)CO.
What is the InChIKey of 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol?
The InChIKey is HAWBHKBGMZWJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-14(2,9-17-15(3,4)10-18)12-8-11(16)6-7-13(12)19-5/h6-8,17-18H,9-10H2,1-5H3.
What are the key properties of 2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol?
2-[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol has a molecular weight of 330.27 g/mol, XLogP of 3.10, 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]-2-methylpropan-1-ol is sourced from PubChem (CID 115133750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).