2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine

C10H13BrFNO — CID 84710711

IUPAC2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNCCc1cc(Br)c(OC)cc1F
InChIInChI=1S/C10H13BrFNO/c1-13-4-3-7-5-8(11)10(14-2)6-9(7)12/h5-6,13H,3-4H2,1-2H3
InChIKeyGNCAZWXSGWDCNX-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.36
Rot. Bonds4

About 2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine

2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine (PubChem CID 84710711) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
PubChem CID84710711
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNCCc1cc(Br)c(OC)cc1F
InChIInChI=1S/C10H13BrFNO/c1-13-4-3-7-5-8(11)10(14-2)6-9(7)12/h5-6,13H,3-4H2,1-2H3
InChIKeyGNCAZWXSGWDCNX-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-5-methoxy-2-methylphenyl)-N-methylethanamine
CID 84805815
3-(5-bromo-2-fluoro-4-methoxyphenyl)propanenitrile
CID 84805684
2-(5-bromo-2-fluoro-4-methoxyphenyl)acetonitrile
CID 84802361
2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine
CID 65304742
N-methyl-2-(2,4,5-trifluorophenyl)ethanamine
CID 84661887
N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84807291
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
CID 84667680
1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
CID 144671819
2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol
CID 83900216
2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine
CID 117486828
3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol
CID 117339653
2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 83902051

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine (CID 84710711) is 2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine is CNCCc1cc(Br)c(OC)cc1F.
What is the InChIKey of 2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine?
The InChIKey is GNCAZWXSGWDCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-13-4-3-7-5-8(11)10(14-2)6-9(7)12/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine?
2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine has a molecular weight of 262.12 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 84710711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).