N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine

C16H22N2O2 — CID 104790228

IUPACN-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine
SMILESCCCOc1cncc(C(NCC)c2ccoc2C)c1
InChIInChI=1S/C16H22N2O2/c1-4-7-20-14-9-13(10-17-11-14)16(18-5-2)15-6-8-19-12(15)3/h6,8-11,16,18H,4-5,7H2,1-3H3
InChIKeyZFTRWAPYMZFORZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.47
Rot. Bonds7

About N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine

N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 104790228) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine
PubChem CID104790228
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine
SMILESCCCOc1cncc(C(NCC)c2ccoc2C)c1
InChIInChI=1S/C16H22N2O2/c1-4-7-20-14-9-13(10-17-11-14)16(18-5-2)15-6-8-19-12(15)3/h6,8-11,16,18H,4-5,7H2,1-3H3
InChIKeyZFTRWAPYMZFORZ-UHFFFAOYSA-N
XLogP3.47
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 104790226
N-[(3-bromo-4-propoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 104658044
N-[(2-methylfuran-3-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 113453420
N-[(2-chlorofuran-3-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 106692879
N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
CID 105144285
N-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 104790245
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
1-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781
N-[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026416
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105175626
N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 107129150
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026800

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine (CID 104790228) is N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine is CCCOc1cncc(C(NCC)c2ccoc2C)c1.
What is the InChIKey of N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is ZFTRWAPYMZFORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-7-20-14-9-13(10-17-11-14)16(18-5-2)15-6-8-19-12(15)3/h6,8-11,16,18H,4-5,7H2,1-3H3.
What are the key properties of N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine?
N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 274.36 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 104790228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).