N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline

C17H21FN2O — CID 62435269

IUPACN-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline
SMILESCc1oc(CNC2CC2)cc1CN(C)c1ccccc1F
InChIInChI=1S/C17H21FN2O/c1-12-13(9-15(21-12)10-19-14-7-8-14)11-20(2)17-6-4-3-5-16(17)18/h3-6,9,14,19H,7-8,10-11H2,1-2H3
InChIKeyIRWMMYRRMLPTMQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.62
Rot. Bonds6

About N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline

N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline (PubChem CID 62435269) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline
PubChem CID62435269
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline
SMILESCc1oc(CNC2CC2)cc1CN(C)c1ccccc1F
InChIInChI=1S/C17H21FN2O/c1-12-13(9-15(21-12)10-19-14-7-8-14)11-20(2)17-6-4-3-5-16(17)18/h3-6,9,14,19H,7-8,10-11H2,1-2H3
InChIKeyIRWMMYRRMLPTMQ-UHFFFAOYSA-N
XLogP3.62
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
CID 62434975
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline
CID 62435264
N-[[4-[[ethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62419504
N-[[4-(diethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62439401
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423023
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,2-dimethyloxolan-3-amine
CID 82754162
N-[[5-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62430120
N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62426990
N-[[4-[[cyclopropyl(propyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62421982
N-[[4-(methoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445621
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62428902
N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline
CID 62434907

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline?
The IUPAC name of N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline (CID 62435269) is N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline.
What is the SMILES notation for N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline?
The canonical SMILES for N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline is Cc1oc(CNC2CC2)cc1CN(C)c1ccccc1F.
What is the InChIKey of N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline?
The InChIKey is IRWMMYRRMLPTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-12-13(9-15(21-12)10-19-14-7-8-14)11-20(2)17-6-4-3-5-16(17)18/h3-6,9,14,19H,7-8,10-11H2,1-2H3.
What are the key properties of N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline?
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline has a molecular weight of 288.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 62435269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).