2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline

C21H20FNO — CID 113221978

IUPAC2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline
SMILESCc1ccc(NCc2ccc(OCc3ccccc3)cc2)c(F)c1
InChIInChI=1S/C21H20FNO/c1-16-7-12-21(20(22)13-16)23-14-17-8-10-19(11-9-17)24-15-18-5-3-2-4-6-18/h2-13,23H,14-15H2,1H3
InChIKeyVYUUXPNLSSOJDS-UHFFFAOYSA-N
MW321.39 g/mol
LogP5.33
Rot. Bonds6

About 2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline

2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline (PubChem CID 113221978) has the molecular formula C21H20FNO and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline
PubChem CID113221978
Molecular FormulaC21H20FNO
Molecular Weight321.39 g/mol
Exact Mass321.15
IUPAC Name2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline
SMILESCc1ccc(NCc2ccc(OCc3ccccc3)cc2)c(F)c1
InChIInChI=1S/C21H20FNO/c1-16-7-12-21(20(22)13-16)23-14-17-8-10-19(11-9-17)24-15-18-5-3-2-4-6-18/h2-13,23H,14-15H2,1H3
InChIKeyVYUUXPNLSSOJDS-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 ≤ 500321.39
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline
CID 113253994
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 28879321
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126121051
N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879315
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126116240
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506
methyl 4-[(2-fluoro-4-methylanilino)methyl]benzoate
CID 28879318
4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline
CID 43229744
2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417
2-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 109010754
N-benzyl-2-methoxy-4-methylaniline
CID 54865649

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline?
The IUPAC name of 2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline (CID 113221978) is 2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline?
The canonical SMILES for 2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline is Cc1ccc(NCc2ccc(OCc3ccccc3)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline?
The InChIKey is VYUUXPNLSSOJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO/c1-16-7-12-21(20(22)13-16)23-14-17-8-10-19(11-9-17)24-15-18-5-3-2-4-6-18/h2-13,23H,14-15H2,1H3.
What are the key properties of 2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline?
2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline has a molecular weight of 321.39 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 2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline is sourced from PubChem (CID 113221978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).