4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline

C18H23NO2 — CID 63517332

IUPAC4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
SMILESCCCOc1ccc(OCCNc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-13-20-17-8-10-18(11-9-17)21-14-12-19-16-6-4-15(2)5-7-16/h4-11,19H,3,12-14H2,1-2H3
InChIKeyMOFRHTIVPMRKRW-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.27
Rot. Bonds8

About 4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline

4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline (PubChem CID 63517332) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
PubChem CID63517332
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
SMILESCCCOc1ccc(OCCNc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-13-20-17-8-10-18(11-9-17)21-14-12-19-16-6-4-15(2)5-7-16/h4-11,19H,3,12-14H2,1-2H3
InChIKeyMOFRHTIVPMRKRW-UHFFFAOYSA-N
XLogP4.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[2-(4-propoxyphenoxy)ethyl]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-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
4-chloro-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517333
N-[3-(4-ethylphenoxy)propyl]-4-methylaniline
CID 82096367
N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline
CID 54799010
N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54806067
N-(2-methylsulfonylethyl)-4-propoxyaniline
CID 62327463
3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline
CID 82096625
N-[2-(2-chlorophenoxy)ethyl]-4-propoxyaniline
CID 54798999
4-butoxy-N-butylaniline
CID 15112153
4-butoxy-N-[2-(4-tert-butylphenoxy)ethyl]aniline
CID 54799238

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline?
The IUPAC name of 4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline (CID 63517332) is 4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline.
What is the SMILES notation for 4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline?
The canonical SMILES for 4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline is CCCOc1ccc(OCCNc2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline?
The InChIKey is MOFRHTIVPMRKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-13-20-17-8-10-18(11-9-17)21-14-12-19-16-6-4-15(2)5-7-16/h4-11,19H,3,12-14H2,1-2H3.
What are the key properties of 4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline?
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline is sourced from PubChem (CID 63517332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).