N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline

C15H20N2O — CID 62435627

IUPACN-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline
SMILESCCc1ccc(N(C)Cc2cc(CN)co2)cc1
InChIInChI=1S/C15H20N2O/c1-3-12-4-6-14(7-5-12)17(2)10-15-8-13(9-16)11-18-15/h4-8,11H,3,9-10,16H2,1-2H3
InChIKeyCIVMXXOWPFYSNM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.94
Rot. Bonds5

About N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline

N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline (PubChem CID 62435627) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline.

Molecular Properties

Compound NameN-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline
PubChem CID62435627
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline
SMILESCCc1ccc(N(C)Cc2cc(CN)co2)cc1
InChIInChI=1S/C15H20N2O/c1-3-12-4-6-14(7-5-12)17(2)10-15-8-13(9-16)11-18-15/h4-8,11H,3,9-10,16H2,1-2H3
InChIKeyCIVMXXOWPFYSNM-UHFFFAOYSA-N
XLogP2.94
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline 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-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline
CID 55074123
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79485851
N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422969
5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline
CID 62003419
N'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62437052
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 62421990
N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine
CID 81067939
4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62437153
(4-ethyl-N-methylanilino)methanethiol
CID 115227706
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline
CID 106785439
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112665740
4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline
CID 81273319

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline?
The IUPAC name of N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline (CID 62435627) is N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline.
What is the SMILES notation for N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline?
The canonical SMILES for N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline is CCc1ccc(N(C)Cc2cc(CN)co2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline?
The InChIKey is CIVMXXOWPFYSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-12-4-6-14(7-5-12)17(2)10-15-8-13(9-16)11-18-15/h4-8,11H,3,9-10,16H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline?
N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline has a molecular weight of 244.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline is sourced from PubChem (CID 62435627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).