3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline

C15H20N2O — CID 43688829

IUPAC3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline
SMILESCC(Nc1cccc(CN(C)C)c1)c1ccco1
InChIInChI=1S/C15H20N2O/c1-12(15-8-5-9-18-15)16-14-7-4-6-13(10-14)11-17(2)3/h4-10,12,16H,11H2,1-3H3
InChIKeyFNLGEYZYYPFQMQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.51
Rot. Bonds5

About 3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline

3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline (PubChem CID 43688829) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline
PubChem CID43688829
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline
SMILESCC(Nc1cccc(CN(C)C)c1)c1ccco1
InChIInChI=1S/C15H20N2O/c1-12(15-8-5-9-18-15)16-14-7-4-6-13(10-14)11-17(2)3/h4-10,12,16H,11H2,1-3H3
InChIKeyFNLGEYZYYPFQMQ-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine
CID 43535637
2-[3-[(dimethylamino)methyl]anilino]propanoic acid
CID 66173910
3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43688866
N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline
CID 43191048
N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 43196365
N-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43692009
3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline
CID 114228156
3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline
CID 115918712
N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 86931910
N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide
CID 43725755
3-[1-[3-[(dimethylamino)methyl]phenyl]ethylamino]benzonitrile
CID 126821703
N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 54863773

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline (CID 43688829) is 3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline is CC(Nc1cccc(CN(C)C)c1)c1ccco1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline?
The InChIKey is FNLGEYZYYPFQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(15-8-5-9-18-15)16-14-7-4-6-13(10-14)11-17(2)3/h4-10,12,16H,11H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline?
3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline has a molecular weight of 244.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline is sourced from PubChem (CID 43688829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).