5-chloro-N-(2-methoxyethyl)-2-methylaniline

C10H14ClNO — CID 28562932

IUPAC5-chloro-N-(2-methoxyethyl)-2-methylaniline
SMILESCOCCNc1cc(Cl)ccc1C
InChIInChI=1S/C10H14ClNO/c1-8-3-4-9(11)7-10(8)12-5-6-13-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyVQSVYHDIYQJFRA-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.71
Rot. Bonds4

About 5-chloro-N-(2-methoxyethyl)-2-methylaniline

5-chloro-N-(2-methoxyethyl)-2-methylaniline (PubChem CID 28562932) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-2-methylaniline.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-2-methylaniline
PubChem CID28562932
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name5-chloro-N-(2-methoxyethyl)-2-methylaniline
SMILESCOCCNc1cc(Cl)ccc1C
InChIInChI=1S/C10H14ClNO/c1-8-3-4-9(11)7-10(8)12-5-6-13-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyVQSVYHDIYQJFRA-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(2-methoxyethyl)-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyethyl)-2-methylaniline?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-2-methylaniline (CID 28562932) is 5-chloro-N-(2-methoxyethyl)-2-methylaniline.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-2-methylaniline?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-2-methylaniline is COCCNc1cc(Cl)ccc1C.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-2-methylaniline?
The InChIKey is VQSVYHDIYQJFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-8-3-4-9(11)7-10(8)12-5-6-13-2/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 5-chloro-N-(2-methoxyethyl)-2-methylaniline?
5-chloro-N-(2-methoxyethyl)-2-methylaniline has a molecular weight of 199.68 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethyl)-2-methylaniline is sourced from PubChem (CID 28562932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).