N-(furan-2-ylmethyl)-N-methyl-2-[1-(methylamino)propyl]aniline

C16H22N2O — CID 112677880

IUPACN-(furan-2-ylmethyl)-N-methyl-2-[1-(methylamino)propyl]aniline
SMILESCCC(NC)c1ccccc1N(C)Cc1ccco1
InChIInChI=1S/C16H22N2O/c1-4-15(17-2)14-9-5-6-10-16(14)18(3)12-13-8-7-11-19-13/h5-11,15,17H,4,12H2,1-3H3
InChIKeyPPDYPKLSPFOGPR-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.59
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-methyl-2-[1-(methylamino)propyl]aniline

N-(furan-2-ylmethyl)-N-methyl-2-[1-(methylamino)propyl]aniline (PubChem CID 112677880) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-[1-(methylamino)propyl]aniline.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-[1-(methylamino)propyl]aniline
PubChem CID112677880
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-[1-(methylamino)propyl]aniline
SMILESCCC(NC)c1ccccc1N(C)Cc1ccco1
InChIInChI=1S/C16H22N2O/c1-4-15(17-2)14-9-5-6-10-16(14)18(3)12-13-8-7-11-19-13/h5-11,15,17H,4,12H2,1-3H3
InChIKeyPPDYPKLSPFOGPR-UHFFFAOYSA-N
XLogP3.59
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(ethylamino)propyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 115994861
N-methyl-2-[1-(methylamino)propyl]-N-(4-methylpentan-2-yl)aniline
CID 112678050
2-[1-(ethylamino)propyl]-N-(furan-3-ylmethyl)-N-methylaniline
CID 115994953
N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline
CID 112677774
N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617370
(1R)-1-[2-[ethyl(furan-2-ylmethyl)amino]phenyl]ethanol
CID 55183202
1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol
CID 43527064
2-[1-(methylamino)propyl]phenol
CID 12862798
N-(furan-2-ylmethyl)-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81249323
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
2-chloro-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 62908849
2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 62909357

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[1-(methylamino)propyl]aniline?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[1-(methylamino)propyl]aniline (CID 112677880) is N-(furan-2-ylmethyl)-N-methyl-2-[1-(methylamino)propyl]aniline.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-[1-(methylamino)propyl]aniline?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-[1-(methylamino)propyl]aniline is CCC(NC)c1ccccc1N(C)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-[1-(methylamino)propyl]aniline?
The InChIKey is PPDYPKLSPFOGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-15(17-2)14-9-5-6-10-16(14)18(3)12-13-8-7-11-19-13/h5-11,15,17H,4,12H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-[1-(methylamino)propyl]aniline?
N-(furan-2-ylmethyl)-N-methyl-2-[1-(methylamino)propyl]aniline has a molecular weight of 258.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-[1-(methylamino)propyl]aniline is sourced from PubChem (CID 112677880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).