N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline

C22H22FNO — CID 126121051

IUPACN-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2ccc(OCc3ccccc3F)cc2)c1
InChIInChI=1S/C22H22FNO/c1-16-7-8-17(2)22(13-16)24-14-18-9-11-20(12-10-18)25-15-19-5-3-4-6-21(19)23/h3-13,24H,14-15H2,1-2H3
InChIKeyKZPSKVILBIYBLR-UHFFFAOYSA-N
MW335.42 g/mol
LogP5.63
Rot. Bonds6

About N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline

N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline (PubChem CID 126121051) has the molecular formula C22H22FNO and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
PubChem CID126121051
Molecular FormulaC22H22FNO
Molecular Weight335.42 g/mol
Exact Mass335.17
IUPAC NameN-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2ccc(OCc3ccccc3F)cc2)c1
InChIInChI=1S/C22H22FNO/c1-16-7-8-17(2)22(13-16)24-14-18-9-11-20(12-10-18)25-15-19-5-3-4-6-21(19)23/h3-13,24H,14-15H2,1-2H3
InChIKeyKZPSKVILBIYBLR-UHFFFAOYSA-N
XLogP5.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.42
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline
CID 113221978
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126127256
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126121743
2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128637
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332478
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126126202
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126116240
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119576
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline
CID 133477267
[3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol
CID 83962362
2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417
2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol
CID 61267847

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
The IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline (CID 126121051) is N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
The canonical SMILES for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline is Cc1ccc(C)c(NCc2ccc(OCc3ccccc3F)cc2)c1.
What is the InChIKey of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
The InChIKey is KZPSKVILBIYBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO/c1-16-7-8-17(2)22(13-16)24-14-18-9-11-20(12-10-18)25-15-19-5-3-4-6-21(19)23/h3-13,24H,14-15H2,1-2H3.
What are the key properties of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline has a molecular weight of 335.42 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline is sourced from PubChem (CID 126121051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).