4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline

C17H21NO — CID 54865409

IUPAC4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline
SMILESCCOc1ccc(NCc2cccc(C)c2)c(C)c1
InChIInChI=1S/C17H21NO/c1-4-19-16-8-9-17(14(3)11-16)18-12-15-7-5-6-13(2)10-15/h5-11,18H,4,12H2,1-3H3
InChIKeyZFDZTJKJWDLAEN-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.31
Rot. Bonds5

About 4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline

4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline (PubChem CID 54865409) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline
PubChem CID54865409
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline
SMILESCCOc1ccc(NCc2cccc(C)c2)c(C)c1
InChIInChI=1S/C17H21NO/c1-4-19-16-8-9-17(14(3)11-16)18-12-15-7-5-6-13(2)10-15/h5-11,18H,4,12H2,1-3H3
InChIKeyZFDZTJKJWDLAEN-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 39357473
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline
CID 79970343
[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol
CID 110006558
4-ethoxy-2-methyl-N-(3-methylphenyl)aniline
CID 70470964
2-bromo-4-[(4-ethoxy-2-methylanilino)methyl]phenol
CID 60962099
N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline
CID 115523834
N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39368420
2-ethoxy-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43706224
4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
CID 54865374
4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline
CID 54865375
2,4-dimethyl-N-[(3-prop-2-ynoxyphenyl)methyl]aniline
CID 126126586

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline?
The IUPAC name of 4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline (CID 54865409) is 4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline?
The canonical SMILES for 4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline is CCOc1ccc(NCc2cccc(C)c2)c(C)c1.
What is the InChIKey of 4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline?
The InChIKey is ZFDZTJKJWDLAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-19-16-8-9-17(14(3)11-16)18-12-15-7-5-6-13(2)10-15/h5-11,18H,4,12H2,1-3H3.
What are the key properties of 4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline?
4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline has a molecular weight of 255.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline is sourced from PubChem (CID 54865409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).