2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine

C15H20N2O — CID 113425631

IUPAC2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1CNCc1ccco1
InChIInChI=1S/C15H20N2O/c1-16-9-8-13-5-2-3-6-14(13)11-17-12-15-7-4-10-18-15/h2-7,10,16-17H,8-9,11-12H2,1H3
InChIKeyNZDODKGBYCQSBF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.33
Rot. Bonds7

About 2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine

2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine (PubChem CID 113425631) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine
PubChem CID113425631
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1CNCc1ccco1
InChIInChI=1S/C15H20N2O/c1-16-9-8-13-5-2-3-6-14(13)11-17-12-15-7-4-10-18-15/h2-7,10,16-17H,8-9,11-12H2,1H3
InChIKeyNZDODKGBYCQSBF-UHFFFAOYSA-N
XLogP2.33
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
CID 17331094
N-(furan-2-ylmethyl)-1-naphthalen-1-ylmethanamine
CID 1090542
1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 795886
2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine
CID 104546961
2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine
CID 104546912
3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204
2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine
CID 113425638
N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine
CID 54797970
methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate
CID 115461693
2-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)ethanamine
CID 78955642
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine?
The IUPAC name of 2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine (CID 113425631) is 2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine?
The canonical SMILES for 2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine is CNCCc1ccccc1CNCc1ccco1.
What is the InChIKey of 2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine?
The InChIKey is NZDODKGBYCQSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16-9-8-13-5-2-3-6-14(13)11-17-12-15-7-4-10-18-15/h2-7,10,16-17H,8-9,11-12H2,1H3.
What are the key properties of 2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine?
2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 113425631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).