5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline

C15H16FNO2 — CID 102939333

IUPAC5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline
SMILESCc1cc(OCOCc2ccccc2)c(F)cc1N
InChIInChI=1S/C15H16FNO2/c1-11-7-15(13(16)8-14(11)17)19-10-18-9-12-5-3-2-4-6-12/h2-8H,9-10,17H2,1H3
InChIKeyASXATUNWGYAHME-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.27
Rot. Bonds5

About 5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline

5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline (PubChem CID 102939333) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline
PubChem CID102939333
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline
SMILESCc1cc(OCOCc2ccccc2)c(F)cc1N
InChIInChI=1S/C15H16FNO2/c1-11-7-15(13(16)8-14(11)17)19-10-18-9-12-5-3-2-4-6-12/h2-8H,9-10,17H2,1H3
InChIKeyASXATUNWGYAHME-UHFFFAOYSA-N
XLogP3.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-methyl-4-(4-phenylbutoxy)aniline
CID 114416119
5-fluoro-2-(phenylmethoxymethoxy)aniline
CID 102939313
4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene
CID 107691820
5-fluoro-2-methyl-4-(2-phenylsulfanylethoxy)aniline
CID 114415779
3,5-dimethyl-4-(phenylmethoxymethoxy)aniline
CID 102939316
3,5-dimethyl-2-(phenylmethoxymethoxy)aniline
CID 102939310
2-fluoro-3-(phenylmethoxymethoxy)pyridine
CID 102941131
5-fluoro-2-methyl-4-(3-phenylmethoxyphenyl)aniline
CID 171916620
4-methyl-3-(phenylmethoxymethoxy)benzenecarbothioamide
CID 107656356
5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene
CID 102939947
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745
2-(bromomethyl)-4-methyl-1-(phenylmethoxymethoxy)benzene
CID 102939941

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline?
The IUPAC name of 5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline (CID 102939333) is 5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline.
What is the SMILES notation for 5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline?
The canonical SMILES for 5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline is Cc1cc(OCOCc2ccccc2)c(F)cc1N.
What is the InChIKey of 5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline?
The InChIKey is ASXATUNWGYAHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-11-7-15(13(16)8-14(11)17)19-10-18-9-12-5-3-2-4-6-12/h2-8H,9-10,17H2,1H3.
What are the key properties of 5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline?
5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline has a molecular weight of 261.30 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline is sourced from PubChem (CID 102939333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).