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

C17H21NO2 — CID 900370

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline
SMILESCCOc1cc(CNc2ccccc2C)ccc1OC
InChIInChI=1S/C17H21NO2/c1-4-20-17-11-14(9-10-16(17)19-3)12-18-15-8-6-5-7-13(15)2/h5-11,18H,4,12H2,1-3H3
InChIKeyVGGTTZHOKMDVEP-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.01
Rot. Bonds6

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

N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline (PubChem CID 900370) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline
PubChem CID900370
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline
SMILESCCOc1cc(CNc2ccccc2C)ccc1OC
InChIInChI=1S/C17H21NO2/c1-4-20-17-11-14(9-10-16(17)19-3)12-18-15-8-6-5-7-13(15)2/h5-11,18H,4,12H2,1-3H3
InChIKeyVGGTTZHOKMDVEP-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.01
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-methylanilino)methyl]phenyl] 4-methylbenzenesulfonate
CID 126122179
2-[(4-ethoxy-3-methoxyphenyl)methylamino]benzonitrile
CID 28615869
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866845
N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-methylaniline
CID 126127366
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen
CID 164870346
3-bromo-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methylaniline
CID 63333064
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine
CID 66352513
5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile
CID 65336194
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline
CID 9014773

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline (CID 900370) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline is CCOc1cc(CNc2ccccc2C)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline?
The InChIKey is VGGTTZHOKMDVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-20-17-11-14(9-10-16(17)19-3)12-18-15-8-6-5-7-13(15)2/h5-11,18H,4,12H2,1-3H3.
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline has a molecular weight of 271.36 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 900370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).