4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline

C19H28N2O — CID 83963022

IUPAC4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline
SMILESCCN(CC)CCc1ccc(NCCCc2ccco2)cc1
InChIInChI=1S/C19H28N2O/c1-3-21(4-2)15-13-17-9-11-18(12-10-17)20-14-5-7-19-8-6-16-22-19/h6,8-12,16,20H,3-5,7,13-15H2,1-2H3
InChIKeyUQOVLRZYRQQLBW-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.21
Rot. Bonds10

About 4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline

4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline (PubChem CID 83963022) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline.

Molecular Properties

Compound Name4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline
PubChem CID83963022
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline
SMILESCCN(CC)CCc1ccc(NCCCc2ccco2)cc1
InChIInChI=1S/C19H28N2O/c1-3-21(4-2)15-13-17-9-11-18(12-10-17)20-14-5-7-19-8-6-16-22-19/h6,8-12,16,20H,3-5,7,13-15H2,1-2H3
InChIKeyUQOVLRZYRQQLBW-UHFFFAOYSA-N
XLogP4.21
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline
CID 83963050
N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride
CID 71444012
4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline
CID 83963038
3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204
N-[4-(2-chloroethyl)phenyl]-N',N'-diethylethane-1,2-diamine
CID 107913689
3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline
CID 83962080
N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
CID 83960475
N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine
CID 22693574
1-N-[4-[2-(diethylamino)ethyl]phenyl]-3-methylbutane-1,2-diamine
CID 83963008
N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine
CID 55072248
3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 65350506
4-[2-(furan-2-yl)ethylamino]benzonitrile
CID 60701833

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline?
The IUPAC name of 4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline (CID 83963022) is 4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline.
What is the SMILES notation for 4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline?
The canonical SMILES for 4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline is CCN(CC)CCc1ccc(NCCCc2ccco2)cc1.
What is the InChIKey of 4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline?
The InChIKey is UQOVLRZYRQQLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-3-21(4-2)15-13-17-9-11-18(12-10-17)20-14-5-7-19-8-6-16-22-19/h6,8-12,16,20H,3-5,7,13-15H2,1-2H3.
What are the key properties of 4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline?
4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline has a molecular weight of 300.45 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline is sourced from PubChem (CID 83963022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).