4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol

C13H19Br2NO2 — CID 113376063

IUPAC4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol
SMILESCOc1c(Br)cc(Br)cc1CNC(C)CC(C)O
InChIInChI=1S/C13H19Br2NO2/c1-8(4-9(2)17)16-7-10-5-11(14)6-12(15)13(10)18-3/h5-6,8-9,16-17H,4,7H2,1-3H3
InChIKeyHWCFUVOVGGTOAY-UHFFFAOYSA-N
MW381.11 g/mol
LogP3.47
Rot. Bonds6

About 4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol

4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol (PubChem CID 113376063) has the molecular formula C13H19Br2NO2 and a molecular weight of 381.11 g/mol. Its IUPAC name is 4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol
PubChem CID113376063
Molecular FormulaC13H19Br2NO2
Molecular Weight381.11 g/mol
Exact Mass378.98
IUPAC Name4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol
SMILESCOc1c(Br)cc(Br)cc1CNC(C)CC(C)O
InChIInChI=1S/C13H19Br2NO2/c1-8(4-9(2)17)16-7-10-5-11(14)6-12(15)13(10)18-3/h5-6,8-9,16-17H,4,7H2,1-3H3
InChIKeyHWCFUVOVGGTOAY-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.11
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dibromo-2-methoxyphenyl)methyl]pent-4-yn-2-amine
CID 113244948
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 115644565
(1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine
CID 81386867
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 43789767
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol
CID 66176532
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 106349099
(1R)-1-cycloheptyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine
CID 81389601
(1R)-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405830
2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 63425377
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615294
(2R)-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-phenylethanol
CID 103766342
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17290053

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol?
The IUPAC name of 4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol (CID 113376063) is 4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol.
What is the SMILES notation for 4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol?
The canonical SMILES for 4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol is COc1c(Br)cc(Br)cc1CNC(C)CC(C)O.
What is the InChIKey of 4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol?
The InChIKey is HWCFUVOVGGTOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NO2/c1-8(4-9(2)17)16-7-10-5-11(14)6-12(15)13(10)18-3/h5-6,8-9,16-17H,4,7H2,1-3H3.
What are the key properties of 4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol?
4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol has a molecular weight of 381.11 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dibromo-2-methoxyphenyl)methylamino]pentan-2-ol is sourced from PubChem (CID 113376063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).