N-(3-methoxypropyl)-4-methylaniline

C11H17NO — CID 57060896

IUPACN-(3-methoxypropyl)-4-methylaniline
SMILESCOCCCNc1ccc(C)cc1
InChIInChI=1S/C11H17NO/c1-10-4-6-11(7-5-10)12-8-3-9-13-2/h4-7,12H,3,8-9H2,1-2H3
InChIKeyWIFQIYIZBFYSDV-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.44
Rot. Bonds5

About N-(3-methoxypropyl)-4-methylaniline

N-(3-methoxypropyl)-4-methylaniline (PubChem CID 57060896) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-methylaniline.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-methylaniline
PubChem CID57060896
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-(3-methoxypropyl)-4-methylaniline
SMILESCOCCCNc1ccc(C)cc1
InChIInChI=1S/C11H17NO/c1-10-4-6-11(7-5-10)12-8-3-9-13-2/h4-7,12H,3,8-9H2,1-2H3
InChIKeyWIFQIYIZBFYSDV-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-4-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 N-(3-methoxypropyl)-4-methylaniline?
The IUPAC name of N-(3-methoxypropyl)-4-methylaniline (CID 57060896) is N-(3-methoxypropyl)-4-methylaniline.
What is the SMILES notation for N-(3-methoxypropyl)-4-methylaniline?
The canonical SMILES for N-(3-methoxypropyl)-4-methylaniline is COCCCNc1ccc(C)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-methylaniline?
The InChIKey is WIFQIYIZBFYSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-10-4-6-11(7-5-10)12-8-3-9-13-2/h4-7,12H,3,8-9H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-4-methylaniline?
N-(3-methoxypropyl)-4-methylaniline has a molecular weight of 179.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-methylaniline is sourced from PubChem (CID 57060896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).