N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine

C13H16N2O2 — CID 106887863

IUPACN-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccnc(OC)c2)o1
InChIInChI=1S/C13H16N2O2/c1-3-14-9-11-4-5-12(17-11)10-6-7-15-13(8-10)16-2/h4-8,14H,3,9H2,1-2H3
InChIKeyAKZJWMKMPRJULN-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.46
Rot. Bonds5

About N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine

N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine (PubChem CID 106887863) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine
PubChem CID106887863
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccnc(OC)c2)o1
InChIInChI=1S/C13H16N2O2/c1-3-14-9-11-4-5-12(17-11)10-6-7-15-13(8-10)16-2/h4-8,14H,3,9H2,1-2H3
InChIKeyAKZJWMKMPRJULN-UHFFFAOYSA-N
XLogP2.46
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106886886
N-[[5-(3-methoxy-2-pyridinyl)furan-2-yl]methyl]ethanamine
CID 114054079
N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine
CID 106887386
N-[[5-(2-methoxy-5-methylphenyl)furan-2-yl]methyl]ethanamine
CID 106887131
N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine
CID 106888028
N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
CID 84756405
N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106889030
N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine
CID 106888548
N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]ethanamine
CID 107289734
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526303
N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 62989679
N-[[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62454887

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine (CID 106887863) is N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine is CCNCc1ccc(-c2ccnc(OC)c2)o1.
What is the InChIKey of N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine?
The InChIKey is AKZJWMKMPRJULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-14-9-11-4-5-12(17-11)10-6-7-15-13(8-10)16-2/h4-8,14H,3,9H2,1-2H3.
What are the key properties of N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine?
N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine has a molecular weight of 232.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106887863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).