N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline

C14H17FN2O — CID 62430374

IUPACN-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline
SMILESCCN(Cc1occc1CN)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O/c1-2-17(13-5-3-12(15)4-6-13)10-14-11(9-16)7-8-18-14/h3-8H,2,9-10,16H2,1H3
InChIKeyLIKMQFPKUUIEKT-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.90
Rot. Bonds5

About N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline

N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline (PubChem CID 62430374) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline.

Molecular Properties

Compound NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline
PubChem CID62430374
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline
SMILESCCN(Cc1occc1CN)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O/c1-2-17(13-5-3-12(15)4-6-13)10-14-11(9-16)7-8-18-14/h3-8H,2,9-10,16H2,1H3
InChIKeyLIKMQFPKUUIEKT-UHFFFAOYSA-N
XLogP2.90
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline?
The IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline (CID 62430374) is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline.
What is the SMILES notation for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline?
The canonical SMILES for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline is CCN(Cc1occc1CN)c1ccc(F)cc1.
What is the InChIKey of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline?
The InChIKey is LIKMQFPKUUIEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-2-17(13-5-3-12(15)4-6-13)10-14-11(9-16)7-8-18-14/h3-8H,2,9-10,16H2,1H3.
What are the key properties of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline?
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline has a molecular weight of 248.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline is sourced from PubChem (CID 62430374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).