N-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline

C16H17BrFNO — CID 43750369

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline
SMILESCCOCc1ccccc1NCc1ccc(Br)cc1F
InChIInChI=1S/C16H17BrFNO/c1-2-20-11-13-5-3-4-6-16(13)19-10-12-7-8-14(17)9-15(12)18/h3-9,19H,2,10-11H2,1H3
InChIKeyZYVAADHGRAZMFF-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.74
Rot. Bonds6

About N-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline

N-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline (PubChem CID 43750369) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline
PubChem CID43750369
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline
SMILESCCOCc1ccccc1NCc1ccc(Br)cc1F
InChIInChI=1S/C16H17BrFNO/c1-2-20-11-13-5-3-4-6-16(13)19-10-12-7-8-14(17)9-15(12)18/h3-9,19H,2,10-11H2,1H3
InChIKeyZYVAADHGRAZMFF-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 103720558
4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol
CID 79832570
2-bromo-6-[[2-(ethoxymethyl)anilino]methyl]phenol
CID 61391843
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline
CID 114841617
N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730106
N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline
CID 63450944
1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64681971
N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline
CID 43243000
5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline
CID 63423742
N-[(4-bromo-2-fluorophenyl)methyl]-3-ethoxypropan-1-amine
CID 43242817
N-[(4-bromo-2-fluorophenyl)methyl]-2,5-dimethylaniline
CID 43242955

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline (CID 43750369) is N-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline is CCOCc1ccccc1NCc1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline?
The InChIKey is ZYVAADHGRAZMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-2-20-11-13-5-3-4-6-16(13)19-10-12-7-8-14(17)9-15(12)18/h3-9,19H,2,10-11H2,1H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline?
N-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline has a molecular weight of 338.22 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline is sourced from PubChem (CID 43750369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).