2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline

C15H26N2O — CID 107274493

IUPAC2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline
SMILESCCOCCN(CC)CCCc1ccccc1N
InChIInChI=1S/C15H26N2O/c1-3-17(12-13-18-4-2)11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10H,3-4,7,9,11-13,16H2,1-2H3
InChIKeyJDCLVIDSQAXNSU-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.56
Rot. Bonds9

About 2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline

2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline (PubChem CID 107274493) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline.

Molecular Properties

Compound Name2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline
PubChem CID107274493
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline
SMILESCCOCCN(CC)CCCc1ccccc1N
InChIInChI=1S/C15H26N2O/c1-3-17(12-13-18-4-2)11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10H,3-4,7,9,11-13,16H2,1-2H3
InChIKeyJDCLVIDSQAXNSU-UHFFFAOYSA-N
XLogP2.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.56
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

2-(2-ethoxyethyl)aniline
CID 14619442
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-ethylethanamine
CID 63696644
2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 43458606
2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180360
3-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81061981
2-[[ethyl(3-phenylpropyl)amino]methyl]aniline
CID 43459373
2-[3-[bis(3-methylbutyl)amino]propyl]aniline
CID 107870230
2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine
CID 63691253
2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline
CID 61490610
2-ethoxy-N-ethyl-N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]ethanamine
CID 63691254
2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376
N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82959881

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline?
The IUPAC name of 2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline (CID 107274493) is 2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline.
What is the SMILES notation for 2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline?
The canonical SMILES for 2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline is CCOCCN(CC)CCCc1ccccc1N.
What is the InChIKey of 2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline?
The InChIKey is JDCLVIDSQAXNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-17(12-13-18-4-2)11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10H,3-4,7,9,11-13,16H2,1-2H3.
What are the key properties of 2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline?
2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline has a molecular weight of 250.39 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline is sourced from PubChem (CID 107274493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).