2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol

C13H20BrNO2 — CID 117486740

IUPAC2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol
SMILESCOc1c(C(C)C)cc(Br)c(C)c1C(O)CN
InChIInChI=1S/C13H20BrNO2/c1-7(2)9-5-10(14)8(3)12(11(16)6-15)13(9)17-4/h5,7,11,16H,6,15H2,1-4H3
InChIKeyBNHHWTWLHXDWAX-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.88
Rot. Bonds4

About 2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol

2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol (PubChem CID 117486740) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol
PubChem CID117486740
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol
SMILESCOc1c(C(C)C)cc(Br)c(C)c1C(O)CN
InChIInChI=1S/C13H20BrNO2/c1-7(2)9-5-10(14)8(3)12(11(16)6-15)13(9)17-4/h5,7,11,16H,6,15H2,1-4H3
InChIKeyBNHHWTWLHXDWAX-UHFFFAOYSA-N
XLogP2.88
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol
CID 84688656
2-amino-1-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)ethanol
CID 117474367
2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol
CID 117115320
2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol
CID 117489356
1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanone
CID 117459118
2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol
CID 84689924
5-bromo-2-methoxy-6-methyl-3-propan-2-ylbenzaldehyde
CID 84712956
2-amino-1-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474366
5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol
CID 117301752

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol (CID 117486740) is 2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol is COc1c(C(C)C)cc(Br)c(C)c1C(O)CN.
What is the InChIKey of 2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol?
The InChIKey is BNHHWTWLHXDWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-7(2)9-5-10(14)8(3)12(11(16)6-15)13(9)17-4/h5,7,11,16H,6,15H2,1-4H3.
What are the key properties of 2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol?
2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol has a molecular weight of 302.21 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 117486740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).