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

C16H20N2O — CID 62438694

IUPACN-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline
SMILESCN(Cc1cc(CNC2CC2)co1)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-18(15-5-3-2-4-6-15)11-16-9-13(12-19-16)10-17-14-7-8-14/h2-6,9,12,14,17H,7-8,10-11H2,1H3
InChIKeyXTAJRPOYHAVFLM-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.17
Rot. Bonds6

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

N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline (PubChem CID 62438694) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline
PubChem CID62438694
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline
SMILESCN(Cc1cc(CNC2CC2)co1)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-18(15-5-3-2-4-6-15)11-16-9-13(12-19-16)10-17-14-7-8-14/h2-6,9,12,14,17H,7-8,10-11H2,1H3
InChIKeyXTAJRPOYHAVFLM-UHFFFAOYSA-N
XLogP3.17
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline
CID 62436053
N-[[5-[[cyclopropyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62418527
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423916
N-[[5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62411812
N-[[5-[[2,2-dimethylpropyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62462274
N-[[5-[(dipropylamino)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62438391
N-[[5-[[bis(2-methylpropyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62426609
N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 81067967
1-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62432280
N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62436032
N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 79490038
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62460736

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline?
The IUPAC name of N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline (CID 62438694) is N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline.
What is the SMILES notation for N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline?
The canonical SMILES for N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline is CN(Cc1cc(CNC2CC2)co1)c1ccccc1.
What is the InChIKey of N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline?
The InChIKey is XTAJRPOYHAVFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(15-5-3-2-4-6-15)11-16-9-13(12-19-16)10-17-14-7-8-14/h2-6,9,12,14,17H,7-8,10-11H2,1H3.
What are the key properties of N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline?
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline has a molecular weight of 256.35 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline is sourced from PubChem (CID 62438694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).