3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline

C17H21NO2 — CID 43729859

IUPAC3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline
SMILESCCOc1cc(NCc2cccc(C)c2)ccc1OC
InChIInChI=1S/C17H21NO2/c1-4-20-17-11-15(8-9-16(17)19-3)18-12-14-7-5-6-13(2)10-14/h5-11,18H,4,12H2,1-3H3
InChIKeyAPLCVYNGVZJRLD-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.01
Rot. Bonds6

About 3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline

3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline (PubChem CID 43729859) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline
PubChem CID43729859
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline
SMILESCCOc1cc(NCc2cccc(C)c2)ccc1OC
InChIInChI=1S/C17H21NO2/c1-4-20-17-11-15(8-9-16(17)19-3)18-12-14-7-5-6-13(2)10-14/h5-11,18H,4,12H2,1-3H3
InChIKeyAPLCVYNGVZJRLD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 43729850
4-ethoxy-3-fluoro-N-[(3-methylphenyl)methyl]aniline
CID 115587227
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
CID 28609770
3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 43729883
1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664197
N-[(3,5-dichlorophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 60790045
3-ethoxy-4-methoxy-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66407427
3-bromo-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methylaniline
CID 63333064
N-[(3-methylphenyl)methyl]-3,4-di(propan-2-yloxy)aniline
CID 83961533
4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline
CID 62120757
3-[3-[(3-ethoxy-4-methoxyphenyl)methylamino]phenyl]propanoic acid
CID 122044401
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 1148322

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline?
The IUPAC name of 3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline (CID 43729859) is 3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline?
The canonical SMILES for 3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline is CCOc1cc(NCc2cccc(C)c2)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline?
The InChIKey is APLCVYNGVZJRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-20-17-11-15(8-9-16(17)19-3)18-12-14-7-5-6-13(2)10-14/h5-11,18H,4,12H2,1-3H3.
What are the key properties of 3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline?
3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline 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 3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline is sourced from PubChem (CID 43729859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).