2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline

C16H21FN2O — CID 62434727

IUPAC2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline
SMILESCCCNCc1occc1CN(C)c1ccccc1F
InChIInChI=1S/C16H21FN2O/c1-3-9-18-11-16-13(8-10-20-16)12-19(2)15-7-5-4-6-14(15)17/h4-8,10,18H,3,9,11-12H2,1-2H3
InChIKeyWFDXWNLGFHTWRQ-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.55
Rot. Bonds7

About 2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline

2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline (PubChem CID 62434727) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline
PubChem CID62434727
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline
SMILESCCCNCc1occc1CN(C)c1ccccc1F
InChIInChI=1S/C16H21FN2O/c1-3-9-18-11-16-13(8-10-20-16)12-19(2)15-7-5-4-6-14(15)17/h4-8,10,18H,3,9,11-12H2,1-2H3
InChIKeyWFDXWNLGFHTWRQ-UHFFFAOYSA-N
XLogP3.55
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]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

N-[[3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62461529
N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62411816
N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62438844
N,2-dimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine
CID 63964105
N,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 62462443
3-methoxy-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 63008845
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline
CID 62435493
1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine
CID 62436022
N-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethyl-2-fluoroaniline
CID 62428968
N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62421351
N-[[3-[(2-fluoro-5-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 64854897
2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107556414

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline?
The IUPAC name of 2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline (CID 62434727) is 2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline.
What is the SMILES notation for 2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline?
The canonical SMILES for 2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline is CCCNCc1occc1CN(C)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline?
The InChIKey is WFDXWNLGFHTWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-3-9-18-11-16-13(8-10-20-16)12-19(2)15-7-5-4-6-14(15)17/h4-8,10,18H,3,9,11-12H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline?
2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline has a molecular weight of 276.35 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline is sourced from PubChem (CID 62434727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).