N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline

C15H20N2O — CID 62436032

IUPACN,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline
SMILESCNCc1coc(CN(C)c2cccc(C)c2)c1
InChIInChI=1S/C15H20N2O/c1-12-5-4-6-14(7-12)17(3)10-15-8-13(9-16-2)11-18-15/h4-8,11,16H,9-10H2,1-3H3
InChIKeyMBMSDXKWUCDQGO-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.94
Rot. Bonds5

About N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline

N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline (PubChem CID 62436032) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound NameN,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline
PubChem CID62436032
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline
SMILESCNCc1coc(CN(C)c2cccc(C)c2)c1
InChIInChI=1S/C15H20N2O/c1-12-5-4-6-14(7-12)17(3)10-15-8-13(9-16-2)11-18-15/h4-8,11,16H,9-10H2,1-3H3
InChIKeyMBMSDXKWUCDQGO-UHFFFAOYSA-N
XLogP2.94
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline
CID 62434976
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline
CID 102770280
N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62428170
N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62463396
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline
CID 62438694
N,N'-dimethyl-N'-(3-methylphenyl)methanediamine
CID 115226747
N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline
CID 105347349
N-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine
CID 62422100
N-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline
CID 55074123
1-[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]-N-methylmethanamine
CID 62462911
N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline
CID 62435152
N-[[5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62411812

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline?
The IUPAC name of N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline (CID 62436032) is N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline?
The canonical SMILES for N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline is CNCc1coc(CN(C)c2cccc(C)c2)c1.
What is the InChIKey of N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline?
The InChIKey is MBMSDXKWUCDQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-5-4-6-14(7-12)17(3)10-15-8-13(9-16-2)11-18-15/h4-8,11,16H,9-10H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline?
N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline has a molecular weight of 244.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 62436032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).