2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline

C16H19FN2O — CID 61422754

IUPAC2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline
SMILESCN(Cc1ccoc1)c1ccc(F)cc1CNC1CC1
InChIInChI=1S/C16H19FN2O/c1-19(10-12-6-7-20-11-12)16-5-2-14(17)8-13(16)9-18-15-3-4-15/h2,5-8,11,15,18H,3-4,9-10H2,1H3
InChIKeyCZYRERGTYCCTSM-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.31
Rot. Bonds6

About 2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline

2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline (PubChem CID 61422754) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline
PubChem CID61422754
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline
SMILESCN(Cc1ccoc1)c1ccc(F)cc1CNC1CC1
InChIInChI=1S/C16H19FN2O/c1-19(10-12-6-7-20-11-12)16-5-2-14(17)8-13(16)9-18-15-3-4-15/h2,5-8,11,15,18H,3-4,9-10H2,1H3
InChIKeyCZYRERGTYCCTSM-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

4-fluoro-N-(furan-3-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 61422704
N'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63700949
2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81056751
2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline
CID 63369381
2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline
CID 61422400
4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848346
N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 43313736
2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline
CID 43313811
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62462542
N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313735
4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527118
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 61414753

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline?
The IUPAC name of 2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline (CID 61422754) is 2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline is CN(Cc1ccoc1)c1ccc(F)cc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline?
The InChIKey is CZYRERGTYCCTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-19(10-12-6-7-20-11-12)16-5-2-14(17)8-13(16)9-18-15-3-4-15/h2,5-8,11,15,18H,3-4,9-10H2,1H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline?
2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-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 2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline is sourced from PubChem (CID 61422754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).