N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine

C14H18N2O2 — CID 43121192

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine
SMILESCOc1ccc(NC(C)c2cc(C)oc2C)cn1
InChIInChI=1S/C14H18N2O2/c1-9-7-13(11(3)18-9)10(2)16-12-5-6-14(17-4)15-8-12/h5-8,10,16H,1-4H3
InChIKeyRNFMDCXZWJSIBY-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.47
Rot. Bonds4

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine (PubChem CID 43121192) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine
PubChem CID43121192
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine
SMILESCOc1ccc(NC(C)c2cc(C)oc2C)cn1
InChIInChI=1S/C14H18N2O2/c1-9-7-13(11(3)18-9)10(2)16-12-5-6-14(17-4)15-8-12/h5-8,10,16H,1-4H3
InChIKeyRNFMDCXZWJSIBY-UHFFFAOYSA-N
XLogP3.47
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 43688441
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline
CID 43121304
5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-N,2-N-diethylpyridine-2,5-diamine
CID 43697556
N-[1-(2-chlorophenyl)ethyl]-6-methoxypyridin-3-amine
CID 43189825
6-methoxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyridin-3-amine
CID 43093893
5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine
CID 104533947
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1H-indazol-5-amine
CID 43691017
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine
CID 112690448
4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 43747364
methyl 5-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-fluorobenzoate
CID 43715486
3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 43121348
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide
CID 43682035

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine (CID 43121192) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine is COc1ccc(NC(C)c2cc(C)oc2C)cn1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine?
The InChIKey is RNFMDCXZWJSIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-7-13(11(3)18-9)10(2)16-12-5-6-14(17-4)15-8-12/h5-8,10,16H,1-4H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine has a molecular weight of 246.31 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine is sourced from PubChem (CID 43121192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).