N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine

C16H17BrFNO — CID 43487880

IUPACN-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1F)c1cc(Br)ccc1OC
InChIInChI=1S/C16H17BrFNO/c1-3-19-16(12-6-4-5-7-14(12)18)13-10-11(17)8-9-15(13)20-2/h4-10,16,19H,3H2,1-2H3
InChIKeyPOOHPOBCHRHZOS-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.30
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine

N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine (PubChem CID 43487880) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
PubChem CID43487880
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC NameN-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1F)c1cc(Br)ccc1OC
InChIInChI=1S/C16H17BrFNO/c1-3-19-16(12-6-4-5-7-14(12)18)13-10-11(17)8-9-15(13)20-2/h4-10,16,19H,3H2,1-2H3
InChIKeyPOOHPOBCHRHZOS-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115828081
N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
CID 43487855
N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827865
N-[(5-bromo-2-methoxyphenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 43487867
N-[(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 115861975
N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493633
N-[(5-bromo-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493610
N-[(5-bromo-2-fluorophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 114894890
N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43487907
N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43561465
N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine
CID 43493559
4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene
CID 55198482

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine (CID 43487880) is N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine is CCNC(c1ccccc1F)c1cc(Br)ccc1OC.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine?
The InChIKey is POOHPOBCHRHZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-3-19-16(12-6-4-5-7-14(12)18)13-10-11(17)8-9-15(13)20-2/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine?
N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43487880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).