2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol

C9H11BrClNO2 — CID 84811979

IUPAC2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol
SMILESCOc1cc(C(O)CN)c(Br)cc1Cl
InChIInChI=1S/C9H11BrClNO2/c1-14-9-2-5(8(13)4-12)6(10)3-7(9)11/h2-3,8,13H,4,12H2,1H3
InChIKeyQGLCUMJJMSCOHL-UHFFFAOYSA-N
MW280.55 g/mol
LogP2.10
Rot. Bonds3

About 2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol

2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol (PubChem CID 84811979) has the molecular formula C9H11BrClNO2 and a molecular weight of 280.55 g/mol. Its IUPAC name is 2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol
PubChem CID84811979
Molecular FormulaC9H11BrClNO2
Molecular Weight280.55 g/mol
Exact Mass278.97
IUPAC Name2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol
SMILESCOc1cc(C(O)CN)c(Br)cc1Cl
InChIInChI=1S/C9H11BrClNO2/c1-14-9-2-5(8(13)4-12)6(10)3-7(9)11/h2-3,8,13H,4,12H2,1H3
InChIKeyQGLCUMJJMSCOHL-UHFFFAOYSA-N
XLogP2.10
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
CID 83895896
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
2-amino-1-(2-chloro-6-methoxy-4-methylphenyl)ethanol
CID 84784457
1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol
CID 82268059
2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol
CID 84671141
1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 66517708
1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol
CID 83943372
2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol
CID 117468575
2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117355259
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol?
The IUPAC name of 2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol (CID 84811979) is 2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol?
The canonical SMILES for 2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol is COc1cc(C(O)CN)c(Br)cc1Cl.
What is the InChIKey of 2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol?
The InChIKey is QGLCUMJJMSCOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2/c1-14-9-2-5(8(13)4-12)6(10)3-7(9)11/h2-3,8,13H,4,12H2,1H3.
What are the key properties of 2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol?
2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol has a molecular weight of 280.55 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol is sourced from PubChem (CID 84811979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).