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

C15H26N2O — CID 106453553

IUPAC3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline
SMILESCCN(CCOCC(C)C)Cc1cccc(N)c1
InChIInChI=1S/C15H26N2O/c1-4-17(8-9-18-12-13(2)3)11-14-6-5-7-15(16)10-14/h5-7,10,13H,4,8-9,11-12,16H2,1-3H3
InChIKeyJJSBPGRVPGPVFG-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.76
Rot. Bonds8

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

3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline (PubChem CID 106453553) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline.

Molecular Properties

Compound Name3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline
PubChem CID106453553
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline
SMILESCCN(CCOCC(C)C)Cc1cccc(N)c1
InChIInChI=1S/C15H26N2O/c1-4-17(8-9-18-12-13(2)3)11-14-6-5-7-15(16)10-14/h5-7,10,13H,4,8-9,11-12,16H2,1-3H3
InChIKeyJJSBPGRVPGPVFG-UHFFFAOYSA-N
XLogP2.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180359
3-[[bis(2-ethoxyethyl)amino]methyl]aniline
CID 82965943
3-[[ethyl(4-methylpentyl)amino]methyl]aniline
CID 83157449
3-[[ethyl(2-methylpropyl)amino]methyl]aniline
CID 43273295
2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide
CID 106453572
3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline
CID 43459109
3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline
CID 43459137
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459084
2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43459091
3-[[(2,6-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 115776980
3-[[2-methylpentyl(propyl)amino]methyl]aniline
CID 62265016
2-(diethylamino)ethyl 2-(3-aminophenyl)acetate
CID 62499206

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline?
The IUPAC name of 3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline (CID 106453553) is 3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline.
What is the SMILES notation for 3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline?
The canonical SMILES for 3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline is CCN(CCOCC(C)C)Cc1cccc(N)c1.
What is the InChIKey of 3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline?
The InChIKey is JJSBPGRVPGPVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-17(8-9-18-12-13(2)3)11-14-6-5-7-15(16)10-14/h5-7,10,13H,4,8-9,11-12,16H2,1-3H3.
What are the key properties of 3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline?
3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline has a molecular weight of 250.39 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline is sourced from PubChem (CID 106453553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).