N-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine

C17H19BrFNO — CID 79722958

IUPACN-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(Br)c1)c1ccccc1OCC
InChIInChI=1S/C17H19BrFNO/c1-3-20-17(12-9-10-15(19)14(18)11-12)13-7-5-6-8-16(13)21-4-2/h5-11,17,20H,3-4H2,1-2H3
InChIKeyRQDCLMLWGBJSTO-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.69
Rot. Bonds6

About N-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine

N-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine (PubChem CID 79722958) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine
PubChem CID79722958
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(Br)c1)c1ccccc1OCC
InChIInChI=1S/C17H19BrFNO/c1-3-20-17(12-9-10-15(19)14(18)11-12)13-7-5-6-8-16(13)21-4-2/h5-11,17,20H,3-4H2,1-2H3
InChIKeyRQDCLMLWGBJSTO-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190
N-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62801895
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 79722130
N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-methoxyphenyl)methyl]ethanamine
CID 115369013
N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491377
N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-fluorophenyl)methyl]ethanamine
CID 79746769
N-[(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methyl]ethanamine
CID 82810486
N-[(3-bromo-4-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]ethanamine
CID 81109551
N-[(3-bromo-4-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methyl]ethanamine
CID 107950736
N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine
CID 79747194
1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115853693
N-[(3-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 107950429

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine (CID 79722958) is N-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine is CCNC(c1ccc(F)c(Br)c1)c1ccccc1OCC.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine?
The InChIKey is RQDCLMLWGBJSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-3-20-17(12-9-10-15(19)14(18)11-12)13-7-5-6-8-16(13)21-4-2/h5-11,17,20H,3-4H2,1-2H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine?
N-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine has a molecular weight of 352.25 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 79722958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).