1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine

C16H17BrFNO2 — CID 43118220

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine
SMILESCOc1cc(Br)c(C(N)Cc2cccc(F)c2)cc1OC
InChIInChI=1S/C16H17BrFNO2/c1-20-15-8-12(13(17)9-16(15)21-2)14(19)7-10-4-3-5-11(18)6-10/h3-6,8-9,14H,7,19H2,1-2H3
InChIKeyRQSLVEOPMIVXID-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.85
Rot. Bonds5

About 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine

1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine (PubChem CID 43118220) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine
PubChem CID43118220
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine
SMILESCOc1cc(Br)c(C(N)Cc2cccc(F)c2)cc1OC
InChIInChI=1S/C16H17BrFNO2/c1-20-15-8-12(13(17)9-16(15)21-2)14(19)7-10-4-3-5-11(18)6-10/h3-6,8-9,14H,7,19H2,1-2H3
InChIKeyRQSLVEOPMIVXID-UHFFFAOYSA-N
XLogP3.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
CID 43118218
1-(2-bromo-4-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829871
1-bromo-5-[1-bromo-2-(3-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 103396441
1-(2-ethoxyphenyl)-2-(3-fluorophenyl)ethanamine
CID 61077982
1-bromo-2-[bromo-(3-fluorophenyl)methyl]-4,5-dimethoxybenzene
CID 63440568
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 61077725
2-[1-bromo-2-(3-fluorophenyl)ethyl]-1,3-dimethoxybenzene
CID 63543671
(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
CID 43118265
1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine
CID 60955806
1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine
CID 114559896
1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43344680
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol
CID 62389072

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine (CID 43118220) is 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine is COc1cc(Br)c(C(N)Cc2cccc(F)c2)cc1OC.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine?
The InChIKey is RQSLVEOPMIVXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-20-15-8-12(13(17)9-16(15)21-2)14(19)7-10-4-3-5-11(18)6-10/h3-6,8-9,14H,7,19H2,1-2H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine?
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine has a molecular weight of 354.22 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 43118220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).