N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline

C21H20FNO2 — CID 126127256

IUPACN-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1
InChIInChI=1S/C21H20FNO2/c1-24-19-12-8-18(9-13-19)23-14-16-6-10-20(11-7-16)25-15-17-4-2-3-5-21(17)22/h2-13,23H,14-15H2,1H3
InChIKeyWZBUOGOSTWHBRB-UHFFFAOYSA-N
MW337.39 g/mol
LogP5.03
Rot. Bonds7

About N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline

N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline (PubChem CID 126127256) has the molecular formula C21H20FNO2 and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
PubChem CID126127256
Molecular FormulaC21H20FNO2
Molecular Weight337.39 g/mol
Exact Mass337.15
IUPAC NameN-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1
InChIInChI=1S/C21H20FNO2/c1-24-19-12-8-18(9-13-19)23-14-16-6-10-20(11-7-16)25-15-17-4-2-3-5-21(17)22/h2-13,23H,14-15H2,1H3
InChIKeyWZBUOGOSTWHBRB-UHFFFAOYSA-N
XLogP5.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.39
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126121743
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline
CID 133477267
N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline;hydrochloride
CID 163326279
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332601
4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
CID 126124121
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126121541
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126121051
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 62809233
1-fluoro-2-[(4-methoxyphenyl)methoxymethyl]benzene
CID 145304623
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121696

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline?
The IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline (CID 126127256) is N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline.
What is the SMILES notation for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline?
The canonical SMILES for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline is COc1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1.
What is the InChIKey of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline?
The InChIKey is WZBUOGOSTWHBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2/c1-24-19-12-8-18(9-13-19)23-14-16-6-10-20(11-7-16)25-15-17-4-2-3-5-21(17)22/h2-13,23H,14-15H2,1H3.
What are the key properties of N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline?
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline has a molecular weight of 337.39 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline is sourced from PubChem (CID 126127256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).