N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline

C16H19FN2O — CID 62435496

IUPACN-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline
SMILESCN(Cc1ccoc1CNC1CC1)c1cccc(F)c1
InChIInChI=1S/C16H19FN2O/c1-19(15-4-2-3-13(17)9-15)11-12-7-8-20-16(12)10-18-14-5-6-14/h2-4,7-9,14,18H,5-6,10-11H2,1H3
InChIKeyMERYAMFHMNUXFD-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.31
Rot. Bonds6

About N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline

N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline (PubChem CID 62435496) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline
PubChem CID62435496
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline
SMILESCN(Cc1ccoc1CNC1CC1)c1cccc(F)c1
InChIInChI=1S/C16H19FN2O/c1-19(15-4-2-3-13(17)9-15)11-12-7-8-20-16(12)10-18-14-5-6-14/h2-4,7-9,14,18H,5-6,10-11H2,1H3
InChIKeyMERYAMFHMNUXFD-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

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Related Compounds

N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline
CID 62435493
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-N-ethyl-3-methylaniline
CID 62426937
N-[[3-(aminomethyl)furan-2-yl]methyl]-3-fluoro-N-methylaniline
CID 62435492
N-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62463416
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline
CID 62428787
N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline
CID 62435139
N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62447659
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-N-ethylcyclopentanamine
CID 62422317
4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline
CID 114850525
N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62426832
N-[[2-[[(3-bromophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62462355
N-[[3-[[cyclopropyl(cyclopropylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 64522663

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline (CID 62435496) is N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline is CN(Cc1ccoc1CNC1CC1)c1cccc(F)c1.
What is the InChIKey of N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline?
The InChIKey is MERYAMFHMNUXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-19(15-4-2-3-13(17)9-15)11-12-7-8-20-16(12)10-18-14-5-6-14/h2-4,7-9,14,18H,5-6,10-11H2,1H3.
What are the key properties of N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline?
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-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 N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 62435496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).