3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline

C15H20N2O — CID 65350506

IUPAC3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
SMILESCCN(CCc1cccc(N)c1)Cc1ccco1
InChIInChI=1S/C15H20N2O/c1-2-17(12-15-7-4-10-18-15)9-8-13-5-3-6-14(16)11-13/h3-7,10-11H,2,8-9,12,16H2,1H3
InChIKeyFQLZDTFIJJUCFM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.93
Rot. Bonds6

About 3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline

3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline (PubChem CID 65350506) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline.

Molecular Properties

Compound Name3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
PubChem CID65350506
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
SMILESCCN(CCc1cccc(N)c1)Cc1ccco1
InChIInChI=1S/C15H20N2O/c1-2-17(12-15-7-4-10-18-15)9-8-13-5-3-6-14(16)11-13/h3-7,10-11H,2,8-9,12,16H2,1H3
InChIKeyFQLZDTFIJJUCFM-UHFFFAOYSA-N
XLogP2.93
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]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

3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline
CID 61423541
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646008
3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 80704733
3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline
CID 65348006
2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79245146
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline
CID 64770417
N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 65247474
3-[2-(dimethylamino)ethyl]aniline
CID 28720801
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline
CID 79582941
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775
ethane;3-propylaniline;vanadium
CID 143596420

Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline?
The IUPAC name of 3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline (CID 65350506) is 3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline.
What is the SMILES notation for 3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline?
The canonical SMILES for 3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline is CCN(CCc1cccc(N)c1)Cc1ccco1.
What is the InChIKey of 3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline?
The InChIKey is FQLZDTFIJJUCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-17(12-15-7-4-10-18-15)9-8-13-5-3-6-14(16)11-13/h3-7,10-11H,2,8-9,12,16H2,1H3.
What are the key properties of 3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline?
3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline has a molecular weight of 244.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline is sourced from PubChem (CID 65350506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).