N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline

C16H17F2NO2 — CID 28615179

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline
SMILESCCOc1ccc(CNc2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C16H17F2NO2/c1-3-21-15-7-4-11(8-16(15)20-2)10-19-12-5-6-13(17)14(18)9-12/h4-9,19H,3,10H2,1-2H3
InChIKeyGEQLSKBVQYCRMX-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.98
Rot. Bonds6

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline (PubChem CID 28615179) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline
PubChem CID28615179
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline
SMILESCCOc1ccc(CNc2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C16H17F2NO2/c1-3-21-15-7-4-11(8-16(15)20-2)10-19-12-5-6-13(17)14(18)9-12/h4-9,19H,3,10H2,1-2H3
InChIKeyGEQLSKBVQYCRMX-UHFFFAOYSA-N
XLogP3.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline
CID 62120757
N-[(3-bromo-4-fluorophenyl)methyl]-4-ethoxy-3-methoxyaniline
CID 43717333
5-[(4-ethoxy-3-fluoroanilino)methyl]-2-methoxyphenol
CID 115587231
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
CID 28609770
3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol
CID 28722983
4-[(3,4-difluoroanilino)methyl]-2-methoxybenzonitrile
CID 106786892
5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 17058888
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline
CID 28890884
4-[(4-ethoxy-3-fluoroanilino)methyl]benzene-1,2-diol
CID 115587242
1-[(3,4-diethoxyphenyl)methyl]-3-(3,4-difluorophenyl)thiourea
CID 100667469
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline
CID 107265964
4-[(4-ethoxy-3-methoxyanilino)methyl]benzonitrile
CID 43231976

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline (CID 28615179) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline is CCOc1ccc(CNc2ccc(F)c(F)c2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline?
The InChIKey is GEQLSKBVQYCRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-3-21-15-7-4-11(8-16(15)20-2)10-19-12-5-6-13(17)14(18)9-12/h4-9,19H,3,10H2,1-2H3.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline has a molecular weight of 293.31 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline is sourced from PubChem (CID 28615179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).