N-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline

C17H20ClNO — CID 70632882

IUPACN-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline
SMILESCCN(c1ccccc1)C(C)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C17H20ClNO/c1-4-19(15-8-6-5-7-9-15)14(3)20-16-10-11-17(18)13(2)12-16/h5-12,14H,4H2,1-3H3
InChIKeyVSIHOLCERYXUAN-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.90
Rot. Bonds5

About N-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline

N-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline (PubChem CID 70632882) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline.

Molecular Properties

Compound NameN-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline
PubChem CID70632882
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline
SMILESCCN(c1ccccc1)C(C)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C17H20ClNO/c1-4-19(15-8-6-5-7-9-15)14(3)20-16-10-11-17(18)13(2)12-16/h5-12,14H,4H2,1-3H3
InChIKeyVSIHOLCERYXUAN-UHFFFAOYSA-N
XLogP4.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.90
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-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline 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-ethyl-N-[1-(3-methyl-4-methylsulfanylphenoxy)ethyl]aniline
CID 21407430
N-[1-(2,6-dichlorophenoxy)ethyl]-N-ethylaniline
CID 70632999
N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline
CID 70632774
N-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline
CID 70632889
N-[2-(4-chloro-3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 63490256
[2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9404407
N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline
CID 21407152
1-(4-chloro-3-methylphenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63459345
N-butyl-N-[1-(4-methylphenoxy)ethyl]aniline
CID 70632750
N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
CID 132656978
N-ethyl-3-methyl-N-[1-(2-methylphenoxy)ethyl]aniline
CID 70633322
2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133190294

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline?
The IUPAC name of N-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline (CID 70632882) is N-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline.
What is the SMILES notation for N-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline?
The canonical SMILES for N-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline is CCN(c1ccccc1)C(C)Oc1ccc(Cl)c(C)c1.
What is the InChIKey of N-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline?
The InChIKey is VSIHOLCERYXUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-4-19(15-8-6-5-7-9-15)14(3)20-16-10-11-17(18)13(2)12-16/h5-12,14H,4H2,1-3H3.
What are the key properties of N-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline?
N-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline has a molecular weight of 289.81 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline is sourced from PubChem (CID 70632882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).