N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine

C15H20N2O — CID 83182976

IUPACN-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1ccncc1C
InChIInChI=1S/C15H20N2O/c1-3-7-17-15(10-13-5-4-9-18-13)14-6-8-16-11-12(14)2/h4-6,8-9,11,15,17H,3,7,10H2,1-2H3
InChIKeyWRGLTEKPMSTODU-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.27
Rot. Bonds6

About N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine

N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine (PubChem CID 83182976) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine
PubChem CID83182976
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1ccncc1C
InChIInChI=1S/C15H20N2O/c1-3-7-17-15(10-13-5-4-9-18-13)14-6-8-16-11-12(14)2/h4-6,8-9,11,15,17H,3,7,10H2,1-2H3
InChIKeyWRGLTEKPMSTODU-UHFFFAOYSA-N
XLogP3.27
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-yl)-N-methyl-1-(3-methyl-4-pyridinyl)ethanamine
CID 83182779
N-[2-(furan-2-yl)-1-pyridin-4-ylethyl]propan-1-amine
CID 83175594
N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029326
N-[1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107985335
N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83175003
N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107103017
5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 83161609
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
2-methyl-1-(3-methyl-4-pyridinyl)-N-propylpentan-1-amine
CID 107896816
N-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878534
2-(furan-2-yl)-1-(4-methyl-3-pyridinyl)ethanol
CID 83171669
N-ethyl-2-(furan-2-yl)-1-pyridin-4-ylethanamine
CID 83175492

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine (CID 83182976) is N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccco1)c1ccncc1C.
What is the InChIKey of N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine?
The InChIKey is WRGLTEKPMSTODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-7-17-15(10-13-5-4-9-18-13)14-6-8-16-11-12(14)2/h4-6,8-9,11,15,17H,3,7,10H2,1-2H3.
What are the key properties of N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine?
N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 83182976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).