4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline

C16H19FN2O — CID 43527118

IUPAC4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline
SMILESCN(Cc1ccco1)c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C16H19FN2O/c1-19(11-14-3-2-8-20-14)16-7-4-12(9-15(16)17)10-18-13-5-6-13/h2-4,7-9,13,18H,5-6,10-11H2,1H3
InChIKeyBPEKJCAUQVYAEA-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.31
Rot. Bonds6

About 4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline

4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline (PubChem CID 43527118) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline
PubChem CID43527118
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline
SMILESCN(Cc1ccco1)c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C16H19FN2O/c1-19(11-14-3-2-8-20-14)16-7-4-12(9-15(16)17)10-18-13-5-6-13/h2-4,7-9,13,18H,5-6,10-11H2,1H3
InChIKeyBPEKJCAUQVYAEA-UHFFFAOYSA-N
XLogP3.31
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.31
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-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol
CID 54879393
3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527133
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62461060
4-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-fluoro-N-methylaniline
CID 81057755
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline
CID 62435264
3-fluoro-4-[furan-2-ylmethyl(methyl)amino]benzonitrile
CID 43657349
6-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 62280784
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol
CID 113426115
5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 114925517
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol
CID 54994819
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline
CID 62436053
2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline
CID 81149232

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline?
The IUPAC name of 4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline (CID 43527118) is 4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline is CN(Cc1ccco1)c1ccc(CNC2CC2)cc1F.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline?
The InChIKey is BPEKJCAUQVYAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-19(11-14-3-2-8-20-14)16-7-4-12(9-15(16)17)10-18-13-5-6-13/h2-4,7-9,13,18H,5-6,10-11H2,1H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline?
4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline has a molecular weight of 274.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline is sourced from PubChem (CID 43527118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).