2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol

C9H11BrFNO — CID 83900216

IUPAC2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol
SMILESCNCCc1cc(F)cc(Br)c1O
InChIInChI=1S/C9H11BrFNO/c1-12-3-2-6-4-7(11)5-8(10)9(6)13/h4-5,12-13H,2-3H2,1H3
InChIKeyASROXBKDNZRBSK-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.06
Rot. Bonds3

About 2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol

2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol (PubChem CID 83900216) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol
PubChem CID83900216
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol
SMILESCNCCc1cc(F)cc(Br)c1O
InChIInChI=1S/C9H11BrFNO/c1-12-3-2-6-4-7(11)5-8(10)9(6)13/h4-5,12-13H,2-3H2,1H3
InChIKeyASROXBKDNZRBSK-UHFFFAOYSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-methyl-6-[2-(methylamino)ethyl]phenol
CID 83876237
2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol
CID 117375107
2-bromo-6-[[3-[(3-bromo-5-fluoro-2-hydroxyphenyl)methyl]-5-chloro-2-hydroxyphenyl]methyl]-4-fluorophenol
CID 13064199
2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol
CID 117309032
2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 84710711
2-[2-[(2-bromo-4-fluorophenoxy)methyl]phenyl]-N-methylethanamine
CID 115464733
3-bromo-6-[2-(methylamino)ethyl]benzene-1,2-diol
CID 117367015
2-(2-amino-2-methylpropyl)-6-bromo-4-fluorophenol
CID 84807013
2-bromo-4-fluoro-6-methoxyphenol
CID 58419882
4-methoxy-2,3-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 117299085
4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol
CID 84713316
4-(2,6-dibromo-4-fluorophenyl)-N-methylbut-3-en-1-amine
CID 170496822

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol?
The IUPAC name of 2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol (CID 83900216) is 2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol.
What is the SMILES notation for 2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol?
The canonical SMILES for 2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol is CNCCc1cc(F)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol?
The InChIKey is ASROXBKDNZRBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-12-3-2-6-4-7(11)5-8(10)9(6)13/h4-5,12-13H,2-3H2,1H3.
What are the key properties of 2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol?
2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol has a molecular weight of 248.09 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol is sourced from PubChem (CID 83900216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).