1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine

C12H16N2O — CID 102652299

IUPAC1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
SMILESCNC(C1=CCCO1)c1cnccc1C
InChIInChI=1S/C12H16N2O/c1-9-5-6-14-8-10(9)12(13-2)11-4-3-7-15-11/h4-6,8,12-13H,3,7H2,1-2H3
InChIKeyRNJAVIHYVDNPLD-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.95
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine

1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine (PubChem CID 102652299) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
PubChem CID102652299
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
SMILESCNC(C1=CCCO1)c1cnccc1C
InChIInChI=1S/C12H16N2O/c1-9-5-6-14-8-10(9)12(13-2)11-4-3-7-15-11/h4-6,8,12-13H,3,7H2,1-2H3
InChIKeyRNJAVIHYVDNPLD-UHFFFAOYSA-N
XLogP1.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 102651314
2,3-dihydrofuran-5-yl-(3-methyl-4-pyridinyl)methanol
CID 102654829
1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 102653596
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 102653543
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 102651549
1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 102651298
1-(2,3-dihydrofuran-5-yl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 102653191
1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652031
1-(2,3-dihydrofuran-5-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 102652083
N-methyl-1-(4-methyl-3-pyridinyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 114878144
1-(2,3-dihydrofuran-5-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 102651572
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 102653080

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine (CID 102652299) is 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine is CNC(C1=CCCO1)c1cnccc1C.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
The InChIKey is RNJAVIHYVDNPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-5-6-14-8-10(9)12(13-2)11-4-3-7-15-11/h4-6,8,12-13H,3,7H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine has a molecular weight of 204.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 102652299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).