2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline

C21H20FNO2 — CID 113253994

IUPAC2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline
SMILESCOc1ccc(F)c(NCc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C21H20FNO2/c1-24-19-11-12-20(22)21(13-19)23-14-16-7-9-18(10-8-16)25-15-17-5-3-2-4-6-17/h2-13,23H,14-15H2,1H3
InChIKeyNAEMCYJJZAFMDB-UHFFFAOYSA-N
MW337.39 g/mol
LogP5.03
Rot. Bonds7

About 2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline

2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline (PubChem CID 113253994) has the molecular formula C21H20FNO2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline
PubChem CID113253994
Molecular FormulaC21H20FNO2
Molecular Weight337.39 g/mol
Exact Mass337.15
IUPAC Name2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline
SMILESCOc1ccc(F)c(NCc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C21H20FNO2/c1-24-19-11-12-20(22)21(13-19)23-14-16-7-9-18(10-8-16)25-15-17-5-3-2-4-6-17/h2-13,23H,14-15H2,1H3
InChIKeyNAEMCYJJZAFMDB-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

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Related Compounds

2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline
CID 113221978
N-benzyl-2-iodo-5-methoxyaniline
CID 71421777
N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511
2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one
CID 174559518
N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801333
N-[(4-methoxyphenyl)methyl]-6-phenylmethoxynaphthalen-2-amine
CID 25139545
2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
CID 28879448
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126116240
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline
CID 82539246
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126127256

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline?
The IUPAC name of 2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline (CID 113253994) is 2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline?
The canonical SMILES for 2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline is COc1ccc(F)c(NCc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline?
The InChIKey is NAEMCYJJZAFMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2/c1-24-19-11-12-20(22)21(13-19)23-14-16-7-9-18(10-8-16)25-15-17-5-3-2-4-6-17/h2-13,23H,14-15H2,1H3.
What are the key properties of 2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline?
2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline 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 2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline is sourced from PubChem (CID 113253994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).