3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol

C9H11BrClNO — CID 84807446

IUPAC3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol
SMILESCNCCc1c(O)cc(Cl)cc1Br
InChIInChI=1S/C9H11BrClNO/c1-12-3-2-7-8(10)4-6(11)5-9(7)13/h4-5,12-13H,2-3H2,1H3
InChIKeyIPOQOMYIGBSJKD-UHFFFAOYSA-N
MW264.55 g/mol
LogP2.57
Rot. Bonds3

About 3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol

3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol (PubChem CID 84807446) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol
PubChem CID84807446
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol
SMILESCNCCc1c(O)cc(Cl)cc1Br
InChIInChI=1S/C9H11BrClNO/c1-12-3-2-7-8(10)4-6(11)5-9(7)13/h4-5,12-13H,2-3H2,1H3
InChIKeyIPOQOMYIGBSJKD-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-fluoro-3-[2-(methylamino)ethyl]benzene-1,2-diol
CID 117414379
5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol
CID 117437713
3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol
CID 84802437
2,4-dichloro-6-[2-(methylamino)ethyl]phenol
CID 83889183
2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 84709440
3-bromo-2-[3-(methylamino)propyl]phenol
CID 84737240
2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine
CID 117437716
2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol
CID 117293116
3-bromo-5-chloro-2-iodophenol
CID 131489085
2,6-dibromo-4-chlorophenol
CID 21394
4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol
CID 84713316
N-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350377

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol?
The IUPAC name of 3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol (CID 84807446) is 3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol.
What is the SMILES notation for 3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol?
The canonical SMILES for 3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol is CNCCc1c(O)cc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol?
The InChIKey is IPOQOMYIGBSJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO/c1-12-3-2-7-8(10)4-6(11)5-9(7)13/h4-5,12-13H,2-3H2,1H3.
What are the key properties of 3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol?
3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol has a molecular weight of 264.55 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol is sourced from PubChem (CID 84807446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).