2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline

C14H17FN2O — CID 61422400

IUPAC2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline
SMILESCNCc1ccc(N(C)Cc2ccoc2)c(F)c1
InChIInChI=1S/C14H17FN2O/c1-16-8-11-3-4-14(13(15)7-11)17(2)9-12-5-6-18-10-12/h3-7,10,16H,8-9H2,1-2H3
InChIKeyUHDVUQWWNLDRAO-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.77
Rot. Bonds5

About 2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline

2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline (PubChem CID 61422400) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline
PubChem CID61422400
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline
SMILESCNCc1ccc(N(C)Cc2ccoc2)c(F)c1
InChIInChI=1S/C14H17FN2O/c1-16-8-11-3-4-14(13(15)7-11)17(2)9-12-5-6-18-10-12/h3-7,10,16H,8-9H2,1-2H3
InChIKeyUHDVUQWWNLDRAO-UHFFFAOYSA-N
XLogP2.77
TPSA28.41 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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060260
N-[(4-bromothiophen-2-yl)methyl]-2-fluoro-N-methyl-4-(methylaminomethyl)aniline
CID 54984847
4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylaniline
CID 62121037
1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol
CID 79389415
N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-3-amine
CID 105073490
4-fluoro-N-(furan-3-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 61422704
2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline
CID 107454661
N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 61414703
2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline
CID 61422754
1-(furan-3-yl)-N-methylmethanamine;molecular hydrogen
CID 156853775
1-[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]-N-methylmethanamine
CID 62462911
2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline
CID 63369381

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline?
The IUPAC name of 2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline (CID 61422400) is 2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline.
What is the SMILES notation for 2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline?
The canonical SMILES for 2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline is CNCc1ccc(N(C)Cc2ccoc2)c(F)c1.
What is the InChIKey of 2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline?
The InChIKey is UHDVUQWWNLDRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-16-8-11-3-4-14(13(15)7-11)17(2)9-12-5-6-18-10-12/h3-7,10,16H,8-9H2,1-2H3.
What are the key properties of 2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline?
2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline has a molecular weight of 248.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline is sourced from PubChem (CID 61422400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).