2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol

C13H20BrNO3 — CID 66536812

IUPAC2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol
SMILESCOc1ccc(Br)c(CNC(C)(C)CO)c1OC
InChIInChI=1S/C13H20BrNO3/c1-13(2,8-16)15-7-9-10(14)5-6-11(17-3)12(9)18-4/h5-6,15-16H,7-8H2,1-4H3
InChIKeyVPEAZJNBMYVJMN-UHFFFAOYSA-N
MW318.21 g/mol
LogP2.33
Rot. Bonds6

About 2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol

2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol (PubChem CID 66536812) has the molecular formula C13H20BrNO3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol
PubChem CID66536812
Molecular FormulaC13H20BrNO3
Molecular Weight318.21 g/mol
Exact Mass317.06
IUPAC Name2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol
SMILESCOc1ccc(Br)c(CNC(C)(C)CO)c1OC
InChIInChI=1S/C13H20BrNO3/c1-13(2,8-16)15-7-9-10(14)5-6-11(17-3)12(9)18-4/h5-6,15-16H,7-8H2,1-4H3
InChIKeyVPEAZJNBMYVJMN-UHFFFAOYSA-N
XLogP2.33
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 66536755
2-[[6-bromo-3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
CID 66536346
N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine
CID 66537350
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine
CID 66536017
2-[3-bromo-2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-N-tert-butylacetamide
CID 66536168
N-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 66536901
N-[(6-bromo-2,3-dimethoxyphenyl)methyl]-3-chloro-4-methoxyaniline
CID 66543602
N-[(6-bromo-2,3-dimethoxyphenyl)methyl]pentan-1-amine
CID 66537363
3-(6-bromo-2,3-dimethoxyphenyl)propanal
CID 117434965
N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine
CID 66535949
2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol
CID 115133534
N-[(6-bromo-2,3-dimethoxyphenyl)methyl]octan-1-amine
CID 66537434

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol (CID 66536812) is 2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol is COc1ccc(Br)c(CNC(C)(C)CO)c1OC.
What is the InChIKey of 2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol?
The InChIKey is VPEAZJNBMYVJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO3/c1-13(2,8-16)15-7-9-10(14)5-6-11(17-3)12(9)18-4/h5-6,15-16H,7-8H2,1-4H3.
What are the key properties of 2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol?
2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol has a molecular weight of 318.21 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 66536812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).