2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine

C17H19BrFNO — CID 43492237

IUPAC2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1cc(F)ccc1OC
InChIInChI=1S/C17H19BrFNO/c1-3-20-16(10-12-4-6-13(18)7-5-12)15-11-14(19)8-9-17(15)21-2/h4-9,11,16,20H,3,10H2,1-2H3
InChIKeyPEENWMNQDBMIJB-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.49
Rot. Bonds6

About 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine

2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine (PubChem CID 43492237) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine
PubChem CID43492237
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1cc(F)ccc1OC
InChIInChI=1S/C17H19BrFNO/c1-3-20-16(10-12-4-6-13(18)7-5-12)15-11-14(19)8-9-17(15)21-2/h4-9,11,16,20H,3,10H2,1-2H3
InChIKeyPEENWMNQDBMIJB-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

2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 43485689
[2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105195600
2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792439
1-(2,5-dibromophenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43489690
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 105394780
1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63507204
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43485624
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 63527393
1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 43491085
2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 62196391
2-(4-chlorophenyl)-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43626354
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63526766

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine (CID 43492237) is 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine is CCNC(Cc1ccc(Br)cc1)c1cc(F)ccc1OC.
What is the InChIKey of 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The InChIKey is PEENWMNQDBMIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-3-20-16(10-12-4-6-13(18)7-5-12)15-11-14(19)8-9-17(15)21-2/h4-9,11,16,20H,3,10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine?
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)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 2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 43492237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).