N-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine

C15H20N2O — CID 105177828

IUPACN-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1cncc(C)c1
InChIInChI=1S/C15H20N2O/c1-3-5-17-15(8-13-4-6-18-11-13)14-7-12(2)9-16-10-14/h4,6-7,9-11,15,17H,3,5,8H2,1-2H3
InChIKeyKAMDEAHCMKMSOO-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.27
Rot. Bonds6

About N-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine

N-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 105177828) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
PubChem CID105177828
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1cncc(C)c1
InChIInChI=1S/C15H20N2O/c1-3-5-17-15(8-13-4-6-18-11-13)14-7-12(2)9-16-10-14/h4,6-7,9-11,15,17H,3,5,8H2,1-2H3
InChIKeyKAMDEAHCMKMSOO-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

N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 115374313
2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105177749
1-(5-bromo-3-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83183662
N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029948
N-[2-(furan-3-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 83183474
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029671
N-[2-(2,6-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105022890
N-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105139385
N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029819
N-[1-(furan-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 63949988
N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175760
N-[1-(4-bromo-3-chlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030232

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine (CID 105177828) is N-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccoc1)c1cncc(C)c1.
What is the InChIKey of N-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is KAMDEAHCMKMSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-5-17-15(8-13-4-6-18-11-13)14-7-12(2)9-16-10-14/h4,6-7,9-11,15,17H,3,5,8H2,1-2H3.
What are the key properties of N-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine?
N-[2-(furan-3-yl)-1-(5-methyl-3-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-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 105177828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).