N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline

C18H23NO — CID 39368420

IUPACN-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline
SMILESCCOc1cccc(CNc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H23NO/c1-5-20-17-8-6-7-16(11-17)12-19-18-14(3)9-13(2)10-15(18)4/h6-11,19H,5,12H2,1-4H3
InChIKeyJWWPUAUUQVITRT-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.62
Rot. Bonds5

About N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline

N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline (PubChem CID 39368420) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline
PubChem CID39368420
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline
SMILESCCOc1cccc(CNc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H23NO/c1-5-20-17-8-6-7-16(11-17)12-19-18-14(3)9-13(2)10-15(18)4/h6-11,19H,5,12H2,1-4H3
InChIKeyJWWPUAUUQVITRT-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-trimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54796665
N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 39357473
2,4,6-trimethyl-N-[[3-(3-methylbutoxy)phenyl]methyl]aniline
CID 54796633
N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline
CID 39384036
N-[(3-cyclopentyloxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39446655
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865409
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 66474852
N-ethoxy-1-(3-ethoxyphenyl)methanamine
CID 82709882
4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128892
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
4-N-[(3-ethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 115612215

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline (CID 39368420) is N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline is CCOc1cccc(CNc2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline?
The InChIKey is JWWPUAUUQVITRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-20-17-8-6-7-16(11-17)12-19-18-14(3)9-13(2)10-15(18)4/h6-11,19H,5,12H2,1-4H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline?
N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 39368420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).