2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine

C10H13BrFNO — CID 83902051

IUPAC2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine
SMILESCNCCc1ccc(F)c(Br)c1OC
InChIInChI=1S/C10H13BrFNO/c1-13-6-5-7-3-4-8(12)9(11)10(7)14-2/h3-4,13H,5-6H2,1-2H3
InChIKeyMYFIBAVPKYLXGZ-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.36
Rot. Bonds4

About 2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine

2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine (PubChem CID 83902051) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine
PubChem CID83902051
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine
SMILESCNCCc1ccc(F)c(Br)c1OC
InChIInChI=1S/C10H13BrFNO/c1-13-6-5-7-3-4-8(12)9(11)10(7)14-2/h3-4,13H,5-6H2,1-2H3
InChIKeyMYFIBAVPKYLXGZ-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

3-fluoro-2-methoxy-6-[2-(methylamino)ethyl]phenol
CID 84668839
2-(3-bromo-6-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 83902100
1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437511
2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 84710711
1-(3-bromo-2-ethoxy-4-fluorophenyl)-N-methylmethanamine
CID 83902054
2-methoxy-3-methyl-6-[2-(methylamino)ethyl]phenol
CID 84666297
2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine
CID 117306682
2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 117457103
(2-bromo-4-fluoro-3-methoxyphenyl)methanol
CID 131627994
N-[2-(3-bromo-2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 103523799
2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine
CID 84667682
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
CID 84667680

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine (CID 83902051) is 2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine is CNCCc1ccc(F)c(Br)c1OC.
What is the InChIKey of 2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine?
The InChIKey is MYFIBAVPKYLXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-13-6-5-7-3-4-8(12)9(11)10(7)14-2/h3-4,13H,5-6H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine?
2-(3-bromo-4-fluoro-2-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-(3-bromo-4-fluoro-2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 83902051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).