N-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine

C17H19BrFNO — CID 60924648

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
SMILESCCOCc1ccccc1CNCc1cc(F)ccc1Br
InChIInChI=1S/C17H19BrFNO/c1-2-21-12-14-6-4-3-5-13(14)10-20-11-15-9-16(19)7-8-17(15)18/h3-9,20H,2,10-12H2,1H3
InChIKeyIIUCOZYCOSUMPA-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.41
Rot. Bonds7

About N-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine

N-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine (PubChem CID 60924648) 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-(ethoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
PubChem CID60924648
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
SMILESCCOCc1ccccc1CNCc1cc(F)ccc1Br
InChIInChI=1S/C17H19BrFNO/c1-2-21-12-14-6-4-3-5-13(14)10-20-11-15-9-16(19)7-8-17(15)18/h3-9,20H,2,10-12H2,1H3
InChIKeyIIUCOZYCOSUMPA-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
CID 66158776
2-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-6-ethoxyphenol
CID 61016649
1-(3-bromophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]methanamine
CID 60752045
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
N-[(2-bromo-5-fluorophenyl)methyl]-2-propoxyethanamine
CID 106451724
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 60962267
N-[[2-[(2-bromo-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62451825
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62121813
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 61016314
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115767644
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine
CID 61016209

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine (CID 60924648) is N-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine is CCOCc1ccccc1CNCc1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine?
The InChIKey is IIUCOZYCOSUMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-2-21-12-14-6-4-3-5-13(14)10-20-11-15-9-16(19)7-8-17(15)18/h3-9,20H,2,10-12H2,1H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine?
N-[(2-bromo-5-fluorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine has a molecular weight of 352.25 g/mol, XLogP of 4.41, 7 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-(ethoxymethyl)phenyl]methanamine is sourced from PubChem (CID 60924648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).