1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine

C17H19BrFNO — CID 106259760

IUPAC1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccccc1CCNC(C)c1ccc(F)cc1Br
InChIInChI=1S/C17H19BrFNO/c1-12(15-8-7-14(19)11-16(15)18)20-10-9-13-5-3-4-6-17(13)21-2/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyFTZTXEATUGTFLC-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.49
Rot. Bonds6

About 1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine

1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine (PubChem CID 106259760) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
PubChem CID106259760
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccccc1CCNC(C)c1ccc(F)cc1Br
InChIInChI=1S/C17H19BrFNO/c1-12(15-8-7-14(19)11-16(15)18)20-10-9-13-5-3-4-6-17(13)21-2/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyFTZTXEATUGTFLC-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[1-[2-(2-methoxyphenyl)ethylamino]ethyl]phenol
CID 106259746
1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259982
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81386984
4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol
CID 103779130
1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259694
N-[1-(2-bromo-4-fluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 103775462
1-(3,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259657
1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 106043231
1-(2-bromophenyl)-N-[2-(2-fluorophenyl)ethyl]ethanamine
CID 43193148
N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine
CID 103775782
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 103775939
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 63066757

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine (CID 106259760) is 1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine is COc1ccccc1CCNC(C)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine?
The InChIKey is FTZTXEATUGTFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-12(15-8-7-14(19)11-16(15)18)20-10-9-13-5-3-4-6-17(13)21-2/h3-8,11-12,20H,9-10H2,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine?
1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine has a molecular weight of 352.25 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 106259760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).