4-(1-methoxyethyl)-2-methylaniline

C10H15NO — CID 123996118

IUPAC4-(1-methoxyethyl)-2-methylaniline
SMILESCOC(C)c1ccc(N)c(C)c1
InChIInChI=1S/C10H15NO/c1-7-6-9(8(2)12-3)4-5-10(7)11/h4-6,8H,11H2,1-3H3
InChIKeyAWXMIXQXDOLCTE-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.28
Rot. Bonds2

About 4-(1-methoxyethyl)-2-methylaniline

4-(1-methoxyethyl)-2-methylaniline (PubChem CID 123996118) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(1-methoxyethyl)-2-methylaniline.

Molecular Properties

Compound Name4-(1-methoxyethyl)-2-methylaniline
PubChem CID123996118
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-(1-methoxyethyl)-2-methylaniline
SMILESCOC(C)c1ccc(N)c(C)c1
InChIInChI=1S/C10H15NO/c1-7-6-9(8(2)12-3)4-5-10(7)11/h4-6,8H,11H2,1-3H3
InChIKeyAWXMIXQXDOLCTE-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(1-methoxyethyl)-2-methylaniline 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

5-(1-methoxyethyl)-2-methylaniline
CID 102569795
4-(1-methoxyethyl)-2-methylphenol
CID 142839591
2-(4-amino-3-methylphenyl)propanal
CID 88582796
(4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol
CID 91678464
(R)-(4-amino-3-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804122
4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylaniline
CID 12994030
1-bromo-4-[(1S)-1-methoxyethyl]benzene
CID 51534481
2,4-dimethylaniline;4-propan-2-ylaniline
CID 158951075
methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate
CID 117321838
2-methyl-4-[(1S)-1-phenylethoxy]aniline
CID 51684094
4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine
CID 102694501
2-methyl-4-(1,1,3-trifluoropropan-2-yl)aniline
CID 89187948

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethyl)-2-methylaniline?
The IUPAC name of 4-(1-methoxyethyl)-2-methylaniline (CID 123996118) is 4-(1-methoxyethyl)-2-methylaniline.
What is the SMILES notation for 4-(1-methoxyethyl)-2-methylaniline?
The canonical SMILES for 4-(1-methoxyethyl)-2-methylaniline is COC(C)c1ccc(N)c(C)c1.
What is the InChIKey of 4-(1-methoxyethyl)-2-methylaniline?
The InChIKey is AWXMIXQXDOLCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-6-9(8(2)12-3)4-5-10(7)11/h4-6,8H,11H2,1-3H3.
What are the key properties of 4-(1-methoxyethyl)-2-methylaniline?
4-(1-methoxyethyl)-2-methylaniline has a molecular weight of 165.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethyl)-2-methylaniline is sourced from PubChem (CID 123996118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).