4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline

C15H26N2O — CID 105165499

IUPAC4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline
SMILESCCCOCC(NCC)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-5-11-18-12-15(16-6-2)13-7-9-14(10-8-13)17(3)4/h7-10,15-16H,5-6,11-12H2,1-4H3
InChIKeyJQXPBAQVVJMVKG-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.83
Rot. Bonds8

About 4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline

4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline (PubChem CID 105165499) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline
PubChem CID105165499
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline
SMILESCCCOCC(NCC)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-5-11-18-12-15(16-6-2)13-7-9-14(10-8-13)17(3)4/h7-10,15-16H,5-6,11-12H2,1-4H3
InChIKeyJQXPBAQVVJMVKG-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105165096
4-[4-[1-(ethylamino)propyl]phenyl]-N,N-dimethylaniline
CID 61025300
4-[1-(ethylamino)heptyl]-N,N-dimethylaniline
CID 105126485
N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
CID 63155925
1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propoxyethanamine
CID 79575664
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-propoxyethanamine
CID 82810035
N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 63473833
N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine
CID 63475832
N-ethyl-2-heptoxy-1-phenylethanamine
CID 63475443
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803
2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 66233587
N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine
CID 115374427

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline (CID 105165499) is 4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline is CCCOCC(NCC)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline?
The InChIKey is JQXPBAQVVJMVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-11-18-12-15(16-6-2)13-7-9-14(10-8-13)17(3)4/h7-10,15-16H,5-6,11-12H2,1-4H3.
What are the key properties of 4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline?
4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline has a molecular weight of 250.39 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105165499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).