2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol

C12H18BrNO3 — CID 117489356

IUPAC2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol
SMILESCCc1c(C(O)CN)cc(Br)c(OC)c1OC
InChIInChI=1S/C12H18BrNO3/c1-4-7-8(10(15)6-14)5-9(13)12(17-3)11(7)16-2/h5,10,15H,4,6,14H2,1-3H3
InChIKeyBPPHLKHTMLUXMX-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.02
Rot. Bonds5

About 2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol

2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol (PubChem CID 117489356) has the molecular formula C12H18BrNO3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol
PubChem CID117489356
Molecular FormulaC12H18BrNO3
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol
SMILESCCc1c(C(O)CN)cc(Br)c(OC)c1OC
InChIInChI=1S/C12H18BrNO3/c1-4-7-8(10(15)6-14)5-9(13)12(17-3)11(7)16-2/h5,10,15H,4,6,14H2,1-3H3
InChIKeyBPPHLKHTMLUXMX-UHFFFAOYSA-N
XLogP2.02
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol 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

2-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
CID 117488230
2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol
CID 83904205
6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol
CID 84714365
2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol
CID 117486740
2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
CID 117499005
5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol
CID 117301752
2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol
CID 117468575
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300
2-amino-1-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474366
2-amino-1-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)ethanol
CID 117474367
2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol
CID 84811979

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol?
The IUPAC name of 2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol (CID 117489356) is 2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol is CCc1c(C(O)CN)cc(Br)c(OC)c1OC.
What is the InChIKey of 2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol?
The InChIKey is BPPHLKHTMLUXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3/c1-4-7-8(10(15)6-14)5-9(13)12(17-3)11(7)16-2/h5,10,15H,4,6,14H2,1-3H3.
What are the key properties of 2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol?
2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol has a molecular weight of 304.18 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 117489356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).