4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline

C15H26N2O — CID 105165096

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

About 4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline

4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline (PubChem CID 105165096) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline
PubChem CID105165096
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline
SMILESCCCNC(COCC)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-5-11-16-15(12-18-6-2)13-7-9-14(10-8-13)17(3)4/h7-10,15-16H,5-6,11-12H2,1-4H3
InChIKeyNEIFTNBIDDBQKM-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'}

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Related Compounds

4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline
CID 105165499
N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine
CID 105007943
4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline
CID 103031134
4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105151653
N,N-dimethyl-4-[1-(propylamino)-2-(1,3-thiazol-2-yl)ethyl]aniline
CID 105169159
4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105177373
N,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline
CID 105158304
4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105076350
N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine
CID 116544588
N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine
CID 105007868
N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine
CID 105007905
N-[2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]propan-1-amine
CID 105007866

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline (CID 105165096) is 4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline is CCCNC(COCC)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline?
The InChIKey is NEIFTNBIDDBQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-11-16-15(12-18-6-2)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-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline?
4-[2-ethoxy-1-(propylamino)ethyl]-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-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105165096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).