N-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine

C13H16N2O — CID 104804839

IUPACN-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine
SMILESCNC(c1ccc(C)nc1)c1occc1C
InChIInChI=1S/C13H16N2O/c1-9-6-7-16-13(9)12(14-3)11-5-4-10(2)15-8-11/h4-8,12,14H,1-3H3
InChIKeyYOFBCKLBWYFPIE-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.60
Rot. Bonds3

About N-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine

N-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine (PubChem CID 104804839) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine
PubChem CID104804839
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine
SMILESCNC(c1ccc(C)nc1)c1occc1C
InChIInChI=1S/C13H16N2O/c1-9-6-7-16-13(9)12(14-3)11-5-4-10(2)15-8-11/h4-8,12,14H,1-3H3
InChIKeyYOFBCKLBWYFPIE-UHFFFAOYSA-N
XLogP2.60
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104805386
1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43480129
1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43481001
N-methyl-1-(6-methyl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115854651
1-(3,4-diethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43483704
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CID 104805056
1-(3,4-dichlorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 81492006
1-(4-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 63155861
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104657492
N-methyl-1-(6-methyl-3-pyridinyl)-1-pyrazin-2-ylmethanamine
CID 63156012
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854608
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 107968253

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of N-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine (CID 104804839) is N-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for N-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine is CNC(c1ccc(C)nc1)c1occc1C.
What is the InChIKey of N-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is YOFBCKLBWYFPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-6-7-16-13(9)12(14-3)11-5-4-10(2)15-8-11/h4-8,12,14H,1-3H3.
What are the key properties of N-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine?
N-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine has a molecular weight of 216.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 104804839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).