N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine

C17H19BrFNO — CID 61016209

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(C)NCc1cc(F)ccc1Br
InChIInChI=1S/C17H19BrFNO/c1-3-21-17-7-5-4-6-15(17)12(2)20-11-13-10-14(19)8-9-16(13)18/h4-10,12,20H,3,11H2,1-2H3
InChIKeyQRMPDUZIQFFSSI-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.84
Rot. Bonds6

About N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine

N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine (PubChem CID 61016209) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine
PubChem CID61016209
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(C)NCc1cc(F)ccc1Br
InChIInChI=1S/C17H19BrFNO/c1-3-21-17-7-5-4-6-15(17)12(2)20-11-13-10-14(19)8-9-16(13)18/h4-10,12,20H,3,11H2,1-2H3
InChIKeyQRMPDUZIQFFSSI-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380519
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81386984
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine
CID 61016312
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-nitrophenyl)ethanamine
CID 61017117
2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 43119365
1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 63499357
(1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81398001
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 102615853
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61015592
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380511
1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
CID 82774821
(1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 81384034

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine (CID 61016209) is N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine is CCOc1ccccc1C(C)NCc1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine?
The InChIKey is QRMPDUZIQFFSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-3-21-17-7-5-4-6-15(17)12(2)20-11-13-10-14(19)8-9-16(13)18/h4-10,12,20H,3,11H2,1-2H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine?
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine has a molecular weight of 352.25 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine is sourced from PubChem (CID 61016209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).