1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine

C13H16N2O — CID 66447737

IUPAC1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine
SMILESCc1ccc(C(N)C(C)c2ccncc2)o1
InChIInChI=1S/C13H16N2O/c1-9-3-4-12(16-9)13(14)10(2)11-5-7-15-8-6-11/h3-8,10,13H,14H2,1-2H3
InChIKeyACENPYITYOUZCY-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.79
Rot. Bonds3

About 1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine

1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine (PubChem CID 66447737) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine
PubChem CID66447737
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine
SMILESCc1ccc(C(N)C(C)c2ccncc2)o1
InChIInChI=1S/C13H16N2O/c1-9-3-4-12(16-9)13(14)10(2)11-5-7-15-8-6-11/h3-8,10,13H,14H2,1-2H3
InChIKeyACENPYITYOUZCY-UHFFFAOYSA-N
XLogP2.79
TPSA52.05 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
CID 86263157
2-phenyl-1-pyridin-4-ylpropan-1-amine
CID 22301590
1-(furan-3-yl)-2-pyridin-4-ylpropan-1-amine
CID 66446369
(1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol
CID 131206305
N-[1-(5-methylfuran-2-yl)ethyl]pyridin-4-amine
CID 61039528
1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine
CID 113460863
1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66448707
1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine
CID 66447741
1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66446566
(R)-(5-methylfuran-2-yl)-pyridin-3-ylmethanol
CID 681019
4-[1-chloro-1-(5-methylfuran-3-yl)propan-2-yl]pyridine
CID 114823989
ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine
CID 142237918

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine (CID 66447737) is 1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine is Cc1ccc(C(N)C(C)c2ccncc2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine?
The InChIKey is ACENPYITYOUZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-3-4-12(16-9)13(14)10(2)11-5-7-15-8-6-11/h3-8,10,13H,14H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine?
1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine has a molecular weight of 216.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 66447737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).