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

C17H24N2O — CID 105177373

IUPAC4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline
SMILESCCCNC(Cc1ccco1)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H24N2O/c1-4-11-18-17(13-16-6-5-12-20-16)14-7-9-15(10-8-14)19(2)3/h5-10,12,17-18H,4,11,13H2,1-3H3
InChIKeyRZUSBLQOGCHEIL-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.63
Rot. Bonds7

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

4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline (PubChem CID 105177373) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline
PubChem CID105177373
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline
SMILESCCCNC(Cc1ccco1)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H24N2O/c1-4-11-18-17(13-16-6-5-12-20-16)14-7-9-15(10-8-14)19(2)3/h5-10,12,17-18H,4,11,13H2,1-3H3
InChIKeyRZUSBLQOGCHEIL-UHFFFAOYSA-N
XLogP3.63
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.63
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

N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83176193
N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 106849283
N-[2-(furan-2-yl)-1-pyridin-4-ylethyl]propan-1-amine
CID 83175594
N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 105029239
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83175003
N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 83174801
N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 105029308
N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029341
4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105165096
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline (CID 105177373) is 4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline is CCCNC(Cc1ccco1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline?
The InChIKey is RZUSBLQOGCHEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-11-18-17(13-16-6-5-12-20-16)14-7-9-15(10-8-14)19(2)3/h5-10,12,17-18H,4,11,13H2,1-3H3.
What are the key properties of 4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline?
4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline has a molecular weight of 272.39 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105177373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).