N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline

C18H23NO2 — CID 60935517

IUPACN-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline
SMILESCOCCOc1cccc(NCc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23NO2/c1-14-7-8-16(11-15(14)2)13-19-17-5-4-6-18(12-17)21-10-9-20-3/h4-8,11-12,19H,9-10,13H2,1-3H3
InChIKeyNGYAOQOYYYFUNP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.94
Rot. Bonds7

About N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline

N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline (PubChem CID 60935517) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline
PubChem CID60935517
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline
SMILESCOCCOc1cccc(NCc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23NO2/c1-14-7-8-16(11-15(14)2)13-19-17-5-4-6-18(12-17)21-10-9-20-3/h4-8,11-12,19H,9-10,13H2,1-3H3
InChIKeyNGYAOQOYYYFUNP-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline 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

N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 63646703
N-[(4-bromophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934782
3-(2-methoxyethoxy)-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 60936529
2-[3-[(3,4-dimethylphenyl)methylamino]phenoxy]acetonitrile
CID 43786086
3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 60935106
N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline
CID 63645864
N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline
CID 63204186
3-(2-phenoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800842
3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54803079
3-(2-ethoxyethoxy)-N-[[3-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802131
3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline
CID 54803133
3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62473686

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline (CID 60935517) is N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline is COCCOc1cccc(NCc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline?
The InChIKey is NGYAOQOYYYFUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-7-8-16(11-15(14)2)13-19-17-5-4-6-18(12-17)21-10-9-20-3/h4-8,11-12,19H,9-10,13H2,1-3H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline?
N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline has a molecular weight of 285.39 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline is sourced from PubChem (CID 60935517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).