N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine

C18H26N2O — CID 115463985

IUPACN-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine
SMILESCCNCCc1ccccc1CN(CC)Cc1ccco1
InChIInChI=1S/C18H26N2O/c1-3-19-12-11-16-8-5-6-9-17(16)14-20(4-2)15-18-10-7-13-21-18/h5-10,13,19H,3-4,11-12,14-15H2,1-2H3
InChIKeyDTNKRTGUKOFZED-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.45
Rot. Bonds9

About N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine

N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine (PubChem CID 115463985) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine
PubChem CID115463985
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine
SMILESCCNCCc1ccccc1CN(CC)Cc1ccco1
InChIInChI=1S/C18H26N2O/c1-3-19-12-11-16-8-5-6-9-17(16)14-20(4-2)15-18-10-7-13-21-18/h5-10,13,19H,3-4,11-12,14-15H2,1-2H3
InChIKeyDTNKRTGUKOFZED-UHFFFAOYSA-N
XLogP3.45
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine 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

N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine
CID 115463481
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62461578
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
CID 62465389
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463617
4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline
CID 79582941
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62463343
N-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 113314751
3-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 62918891
N-ethyl-2-(ethylamino)-N-(furan-2-ylmethyl)ethanesulfonamide
CID 54972545
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline
CID 64770417
N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine
CID 55072248

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine (CID 115463985) is N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine is CCNCCc1ccccc1CN(CC)Cc1ccco1.
What is the InChIKey of N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine?
The InChIKey is DTNKRTGUKOFZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-19-12-11-16-8-5-6-9-17(16)14-20(4-2)15-18-10-7-13-21-18/h5-10,13,19H,3-4,11-12,14-15H2,1-2H3.
What are the key properties of N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine?
N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine has a molecular weight of 286.42 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine is sourced from PubChem (CID 115463985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).