2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline

C15H26N2O2 — CID 103180360

IUPAC2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
SMILESCCN(CCOCCCOC)Cc1ccccc1N
InChIInChI=1S/C15H26N2O2/c1-3-17(9-12-19-11-6-10-18-2)13-14-7-4-5-8-15(14)16/h4-5,7-8H,3,6,9-13,16H2,1-2H3
InChIKeyNUJYTGIKFQUTFV-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.14
Rot. Bonds10

About 2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline

2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline (PubChem CID 103180360) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline.

Molecular Properties

Compound Name2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
PubChem CID103180360
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
SMILESCCN(CCOCCCOC)Cc1ccccc1N
InChIInChI=1S/C15H26N2O2/c1-3-17(9-12-19-11-6-10-18-2)13-14-7-4-5-8-15(14)16/h4-5,7-8H,3,6,9-13,16H2,1-2H3
InChIKeyNUJYTGIKFQUTFV-UHFFFAOYSA-N
XLogP2.14
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]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

2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 54985082
2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline
CID 61490610
2-[[2-methoxyethyl(propyl)amino]methyl]aniline
CID 43459932
3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180359
2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376
2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline
CID 107274493
2-[[ethyl(3-phenylpropyl)amino]methyl]aniline
CID 43459373
5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol
CID 62229041
2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide
CID 61486088
N-[(2-aminophenyl)methyl]-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63290024
N'-ethyl-N'-[2-(3-methoxypropoxy)ethyl]propane-1,3-diamine
CID 103178048
3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline
CID 43587897

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline?
The IUPAC name of 2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline (CID 103180360) is 2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline.
What is the SMILES notation for 2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline?
The canonical SMILES for 2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline is CCN(CCOCCCOC)Cc1ccccc1N.
What is the InChIKey of 2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline?
The InChIKey is NUJYTGIKFQUTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-17(9-12-19-11-6-10-18-2)13-14-7-4-5-8-15(14)16/h4-5,7-8H,3,6,9-13,16H2,1-2H3.
What are the key properties of 2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline?
2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline has a molecular weight of 266.38 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline is sourced from PubChem (CID 103180360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).