3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline

C20H18FNO2 — CID 169408820

IUPAC3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline
SMILESCOc1ccc(F)c(-c2cc(N)ccc2OCc2ccccc2)c1
InChIInChI=1S/C20H18FNO2/c1-23-16-8-9-19(21)17(12-16)18-11-15(22)7-10-20(18)24-13-14-5-3-2-4-6-14/h2-12H,13,22H2,1H3
InChIKeyYHGRWAOAGMBDNW-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.66
Rot. Bonds5

About 3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline

3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline (PubChem CID 169408820) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline.

Molecular Properties

Compound Name3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline
PubChem CID169408820
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline
SMILESCOc1ccc(F)c(-c2cc(N)ccc2OCc2ccccc2)c1
InChIInChI=1S/C20H18FNO2/c1-23-16-8-9-19(21)17(12-16)18-11-15(22)7-10-20(18)24-13-14-5-3-2-4-6-14/h2-12H,13,22H2,1H3
InChIKeyYHGRWAOAGMBDNW-UHFFFAOYSA-N
XLogP4.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
3-methoxy-4-phenylmethoxyaniline
CID 27226
[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508461
[5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine
CID 172650029
5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole
CID 57432903
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline
CID 104781195
3-iodo-4-phenylmethoxyaniline;iron
CID 70281064
1-fluoro-4-methoxy-2-(2-methoxyphenyl)benzene
CID 69262125
3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
CID 19626986
3-[(3-methoxyphenyl)methoxy]-4-methylaniline
CID 43520224
2-ethynyl-4-methoxy-1-phenylmethoxybenzene
CID 154814757

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline?
The IUPAC name of 3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline (CID 169408820) is 3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline.
What is the SMILES notation for 3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline?
The canonical SMILES for 3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline is COc1ccc(F)c(-c2cc(N)ccc2OCc2ccccc2)c1.
What is the InChIKey of 3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline?
The InChIKey is YHGRWAOAGMBDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c1-23-16-8-9-19(21)17(12-16)18-11-15(22)7-10-20(18)24-13-14-5-3-2-4-6-14/h2-12H,13,22H2,1H3.
What are the key properties of 3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline?
3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline has a molecular weight of 323.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline is sourced from PubChem (CID 169408820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).