N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline

C21H20FNO — CID 126116240

IUPACN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
SMILESCc1ccccc1NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C21H20FNO/c1-16-5-2-3-8-21(16)23-14-17-9-11-20(12-10-17)24-15-18-6-4-7-19(22)13-18/h2-13,23H,14-15H2,1H3
InChIKeyNVLWBFFUPODKMC-UHFFFAOYSA-N
MW321.40 g/mol
LogP5.33
Rot. Bonds6

About N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline (PubChem CID 126116240) has the molecular formula C21H20FNO and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
PubChem CID126116240
Molecular FormulaC21H20FNO
Molecular Weight321.40 g/mol
Exact Mass321.15
IUPAC NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
SMILESCc1ccccc1NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C21H20FNO/c1-16-5-2-3-8-21(16)23-14-17-9-11-20(12-10-17)24-15-18-6-4-7-19(22)13-18/h2-13,23H,14-15H2,1H3
InChIKeyNVLWBFFUPODKMC-UHFFFAOYSA-N
XLogP5.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.40
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline
CID 113221978
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide
CID 35388728
1-butyl-4-[(3-fluorophenyl)methoxy]benzene
CID 162218759
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 11393202
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969603
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118289
2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline
CID 113253994
(2S)-1-amino-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propan-1-ol
CID 155791401
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126121051

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline (CID 126116240) is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline.
What is the SMILES notation for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The canonical SMILES for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline is Cc1ccccc1NCc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The InChIKey is NVLWBFFUPODKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO/c1-16-5-2-3-8-21(16)23-14-17-9-11-20(12-10-17)24-15-18-6-4-7-19(22)13-18/h2-13,23H,14-15H2,1H3.
What are the key properties of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline has a molecular weight of 321.40 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline is sourced from PubChem (CID 126116240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).