4-(2-methoxyethoxy)-N-pentan-2-ylaniline

C14H23NO2 — CID 43734198

IUPAC4-(2-methoxyethoxy)-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1ccc(OCCOC)cc1
InChIInChI=1S/C14H23NO2/c1-4-5-12(2)15-13-6-8-14(9-7-13)17-11-10-16-3/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyHUGMHKCTXBFWKS-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.31
Rot. Bonds8

About 4-(2-methoxyethoxy)-N-pentan-2-ylaniline

4-(2-methoxyethoxy)-N-pentan-2-ylaniline (PubChem CID 43734198) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-pentan-2-ylaniline.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-pentan-2-ylaniline
PubChem CID43734198
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-(2-methoxyethoxy)-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1ccc(OCCOC)cc1
InChIInChI=1S/C14H23NO2/c1-4-5-12(2)15-13-6-8-14(9-7-13)17-11-10-16-3/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyHUGMHKCTXBFWKS-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-methoxyethoxy)-N-pentan-2-ylaniline 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

Phenacetin
CID 4754
Practolol
CID 4883
4-Ethoxyaniline
CID 9076
N-(4-Methoxyphenyl)Acetamide
CID 5827
Dulcin
CID 9013
4-(Diglycidylamino)phenyl glycidyl ether
CID 62558
4-Hexyloxyaniline
CID 38360
4,4'-Dimethoxydiphenylamine
CID 7571
Diacetamate
CID 17499
N-(4-Ethoxyphenyl)-3-oxobutanamide
CID 61053
4-Isopropoxydiphenylamine
CID 7574
1-(4-Methoxyphenyl)piperazine
CID 269722

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-pentan-2-ylaniline?
The IUPAC name of 4-(2-methoxyethoxy)-N-pentan-2-ylaniline (CID 43734198) is 4-(2-methoxyethoxy)-N-pentan-2-ylaniline.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-pentan-2-ylaniline?
The canonical SMILES for 4-(2-methoxyethoxy)-N-pentan-2-ylaniline is CCCC(C)Nc1ccc(OCCOC)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-pentan-2-ylaniline?
The InChIKey is HUGMHKCTXBFWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-5-12(2)15-13-6-8-14(9-7-13)17-11-10-16-3/h6-9,12,15H,4-5,10-11H2,1-3H3.
What are the key properties of 4-(2-methoxyethoxy)-N-pentan-2-ylaniline?
4-(2-methoxyethoxy)-N-pentan-2-ylaniline has a molecular weight of 237.34 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-pentan-2-ylaniline is sourced from PubChem (CID 43734198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).