2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol

C15H24BrNO3 — CID 103524091

IUPAC2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol
SMILESCCCNCCC(C)(O)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C15H24BrNO3/c1-5-9-17-10-8-15(2,18)11-6-7-12(19-3)13(16)14(11)20-4/h6-7,17-18H,5,8-10H2,1-4H3
InChIKeyNHOVSGQQEDISJC-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.06
Rot. Bonds8

About 2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol

2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol (PubChem CID 103524091) has the molecular formula C15H24BrNO3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol.

Molecular Properties

Compound Name2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol
PubChem CID103524091
Molecular FormulaC15H24BrNO3
Molecular Weight346.27 g/mol
Exact Mass345.09
IUPAC Name2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol
SMILESCCCNCCC(C)(O)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C15H24BrNO3/c1-5-9-17-10-8-15(2,18)11-6-7-12(19-3)13(16)14(11)20-4/h6-7,17-18H,5,8-10H2,1-4H3
InChIKeyNHOVSGQQEDISJC-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-bromo-2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 103523799
1-(3-bromo-2,4-dimethoxyphenyl)-2-(propylamino)ethanol
CID 103524083
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine
CID 103524213
4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol
CID 103522937
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol
CID 103522810
2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine
CID 103523035
3-(3-bromo-2,4-dimethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 103523899
4-(ethylamino)-2-(2-fluoro-3-methoxyphenyl)butan-2-ol
CID 82811754
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 103524210
2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003662
(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002279

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol?
The IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol (CID 103524091) is 2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol.
What is the SMILES notation for 2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol?
The canonical SMILES for 2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol is CCCNCCC(C)(O)c1ccc(OC)c(Br)c1OC.
What is the InChIKey of 2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol?
The InChIKey is NHOVSGQQEDISJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3/c1-5-9-17-10-8-15(2,18)11-6-7-12(19-3)13(16)14(11)20-4/h6-7,17-18H,5,8-10H2,1-4H3.
What are the key properties of 2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol?
2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol has a molecular weight of 346.27 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol is sourced from PubChem (CID 103524091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).