2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol

C15H24BrNO3 — CID 61247141

IUPAC2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol
SMILESCOc1cc(Br)c(CNC(CO)CC(C)C)cc1OC
InChIInChI=1S/C15H24BrNO3/c1-10(2)5-12(9-18)17-8-11-6-14(19-3)15(20-4)7-13(11)16/h6-7,10,12,17-18H,5,8-9H2,1-4H3
InChIKeyHVCCTPGPJJSYQZ-UHFFFAOYSA-N
MW346.27 g/mol
LogP2.96
Rot. Bonds8

About 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol

2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol (PubChem CID 61247141) has the molecular formula C15H24BrNO3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol
PubChem CID61247141
Molecular FormulaC15H24BrNO3
Molecular Weight346.27 g/mol
Exact Mass345.09
IUPAC Name2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol
SMILESCOc1cc(Br)c(CNC(CO)CC(C)C)cc1OC
InChIInChI=1S/C15H24BrNO3/c1-10(2)5-12(9-18)17-8-11-6-14(19-3)15(20-4)7-13(11)16/h6-7,10,12,17-18H,5,8-9H2,1-4H3
InChIKeyHVCCTPGPJJSYQZ-UHFFFAOYSA-N
XLogP2.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]butan-1-ol
CID 51675513
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43775679
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 79254885
(2S)-2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]propanoic acid
CID 94212923
2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]-4-methylpentan-1-ol
CID 61246559
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methylbutan-1-amine
CID 43220432
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethylamino]ethanol
CID 66538635
(2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
CID 40726834
2-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylamino]propanoic acid
CID 66534018
2-[(3,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 61245963
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethoxy]ethanol
CID 43220975
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methylsulfanylbutan-1-amine
CID 115604445

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol (CID 61247141) is 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol is COc1cc(Br)c(CNC(CO)CC(C)C)cc1OC.
What is the InChIKey of 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol?
The InChIKey is HVCCTPGPJJSYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3/c1-10(2)5-12(9-18)17-8-11-6-14(19-3)15(20-4)7-13(11)16/h6-7,10,12,17-18H,5,8-9H2,1-4H3.
What are the key properties of 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol?
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol has a molecular weight of 346.27 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 61247141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).