N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine

C14H18N2O — CID 104805386

IUPACN-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1occc1C
InChIInChI=1S/C14H18N2O/c1-4-15-13(14-10(2)7-8-17-14)12-6-5-11(3)16-9-12/h5-9,13,15H,4H2,1-3H3
InChIKeyMRTPQKYDERWGRK-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.99
Rot. Bonds4

About N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine

N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 104805386) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID104805386
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1occc1C
InChIInChI=1S/C14H18N2O/c1-4-15-13(14-10(2)7-8-17-14)12-6-5-11(3)16-9-12/h5-9,13,15H,4H2,1-3H3
InChIKeyMRTPQKYDERWGRK-UHFFFAOYSA-N
XLogP2.99
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-methylfuran-2-yl)-1-(6-methyl-3-pyridinyl)methanamine
CID 104804839
N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492376
N-[(4-ethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55165244
N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118897
N-[(6-methyl-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 105144382
N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854598
N-[(2,4-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854963
N-[(5-chlorofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 106692001
N-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854954
N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155426
N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine
CID 116506465
N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155732

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine (CID 104805386) is N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C)nc1)c1occc1C.
What is the InChIKey of N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is MRTPQKYDERWGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-15-13(14-10(2)7-8-17-14)12-6-5-11(3)16-9-12/h5-9,13,15H,4H2,1-3H3.
What are the key properties of N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 104805386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).