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

C15H26N2O2 — CID 103180359

IUPAC3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
SMILESCCN(CCOCCCOC)Cc1cccc(N)c1
InChIInChI=1S/C15H26N2O2/c1-3-17(8-11-19-10-5-9-18-2)13-14-6-4-7-15(16)12-14/h4,6-7,12H,3,5,8-11,13,16H2,1-2H3
InChIKeyKVKGQGNZIZZAOC-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.14
Rot. Bonds10

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

3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline (PubChem CID 103180359) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline.

Molecular Properties

Compound Name3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
PubChem CID103180359
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
SMILESCCN(CCOCCCOC)Cc1cccc(N)c1
InChIInChI=1S/C15H26N2O2/c1-3-17(8-11-19-10-5-9-18-2)13-14-6-4-7-15(16)12-14/h4,6-7,12H,3,5,8-11,13,16H2,1-2H3
InChIKeyKVKGQGNZIZZAOC-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'}

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Related Compounds

3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline
CID 106453553
3-[[bis(2-ethoxyethyl)amino]methyl]aniline
CID 82965943
2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180360
3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline
CID 104563895
2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide
CID 106453572
3-[[ethyl(4-methylpentyl)amino]methyl]aniline
CID 83157449
3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline
CID 43459109
N'-ethyl-N'-[2-(3-methoxypropoxy)ethyl]propane-1,3-diamine
CID 103178048
3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 103184049
3-[[ethyl(2-methylpropyl)amino]methyl]aniline
CID 43273295
3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline
CID 43459137
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline?
The IUPAC name of 3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline (CID 103180359) is 3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline.
What is the SMILES notation for 3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline?
The canonical SMILES for 3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline is CCN(CCOCCCOC)Cc1cccc(N)c1.
What is the InChIKey of 3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline?
The InChIKey is KVKGQGNZIZZAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-17(8-11-19-10-5-9-18-2)13-14-6-4-7-15(16)12-14/h4,6-7,12H,3,5,8-11,13,16H2,1-2H3.
What are the key properties of 3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline?
3-[[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 3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline is sourced from PubChem (CID 103180359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).