N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline

C17H20FNO2 — CID 28890884

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline
SMILESCCOc1ccc(CNc2ccc(C)cc2F)cc1OC
InChIInChI=1S/C17H20FNO2/c1-4-21-16-8-6-13(10-17(16)20-3)11-19-15-7-5-12(2)9-14(15)18/h5-10,19H,4,11H2,1-3H3
InChIKeyFYAUQGQFDBGOAA-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.15
Rot. Bonds6

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline (PubChem CID 28890884) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline
PubChem CID28890884
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline
SMILESCCOc1ccc(CNc2ccc(C)cc2F)cc1OC
InChIInChI=1S/C17H20FNO2/c1-4-21-16-8-6-13(10-17(16)20-3)11-19-15-7-5-12(2)9-14(15)18/h5-10,19H,4,11H2,1-3H3
InChIKeyFYAUQGQFDBGOAA-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
CID 60931979
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
CID 28609770
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 28615179
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine
CID 104600023
(4-ethoxy-3-methoxyphenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 8798742
4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline
CID 62120757
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 43235538
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline
CID 126120336
5-chloro-2-[(4-ethoxy-3-methoxyphenyl)methylamino]benzonitrile
CID 133285832
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline
CID 43235477
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
CID 55040204

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline (CID 28890884) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline is CCOc1ccc(CNc2ccc(C)cc2F)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline?
The InChIKey is FYAUQGQFDBGOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-4-21-16-8-6-13(10-17(16)20-3)11-19-15-7-5-12(2)9-14(15)18/h5-10,19H,4,11H2,1-3H3.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline has a molecular weight of 289.35 g/mol, XLogP of 4.15, 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]-2-fluoro-4-methylaniline is sourced from PubChem (CID 28890884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).