N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline

C18H23NO — CID 70632774

IUPACN-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline
SMILESCCN(c1cccc(C)c1)C(C)Oc1ccc(C)cc1
InChIInChI=1S/C18H23NO/c1-5-19(17-8-6-7-15(3)13-17)16(4)20-18-11-9-14(2)10-12-18/h6-13,16H,5H2,1-4H3
InChIKeyXIRBSKVAOVCCQX-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.55
Rot. Bonds5

About N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline

N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline (PubChem CID 70632774) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline
PubChem CID70632774
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline
SMILESCCN(c1cccc(C)c1)C(C)Oc1ccc(C)cc1
InChIInChI=1S/C18H23NO/c1-5-19(17-8-6-7-15(3)13-17)16(4)20-18-11-9-14(2)10-12-18/h6-13,16H,5H2,1-4H3
InChIKeyXIRBSKVAOVCCQX-UHFFFAOYSA-N
XLogP4.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-ethyl-3-methyl-N-[1-(4-methylphenoxy)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

Florbetaben (18F)
CID 11501341
N-Benzyl-4-methoxyaniline
CID 519413
Florbetaben unlabelled
CID 53257383
((4-((2-(4-Cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)malononitrile
CID 104687
N-(4-Methoxybenzyl)aniline
CID 408377
1-(2-(Phenoxymethyl)phenyl)piperazine
CID 45483466
1-[4-(Dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,4-pentadien-3-one
CID 869055
2-(2-((Dimethylamino)methyl)phenoxy)-5-methylbenzenamine
CID 10244152
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
CID 44334052
1-Methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]piperazine
CID 57672016
3-[(4-iodophenyl)methoxy]-N,N-dimethylaniline
CID 65489343
4-[(4-iodophenyl)methoxy]-N,N-dimethylaniline
CID 76283253

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline?
The IUPAC name of N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline (CID 70632774) is N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline.
What is the SMILES notation for N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline?
The canonical SMILES for N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline is CCN(c1cccc(C)c1)C(C)Oc1ccc(C)cc1.
What is the InChIKey of N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline?
The InChIKey is XIRBSKVAOVCCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-19(17-8-6-7-15(3)13-17)16(4)20-18-11-9-14(2)10-12-18/h6-13,16H,5H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline?
N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 70632774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).