(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine

C15H20N2O — CID 81407144

IUPAC(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine
SMILESCc1cc(C(C)N[C@H](C)c2cccnc2)c(C)o1
InChIInChI=1S/C15H20N2O/c1-10-8-15(13(4)18-10)12(3)17-11(2)14-6-5-7-16-9-14/h5-9,11-12,17H,1-4H3/t11-,12?/m1/s1
InChIKeyPAJVAXJIKCLTQJ-JHJMLUEUSA-N
MW244.34 g/mol
LogP3.70
Rot. Bonds4

About (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine

(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine (PubChem CID 81407144) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine
PubChem CID81407144
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine
SMILESCc1cc(C(C)N[C@H](C)c2cccnc2)c(C)o1
InChIInChI=1S/C15H20N2O/c1-10-8-15(13(4)18-10)12(3)17-11(2)14-6-5-7-16-9-14/h5-9,11-12,17H,1-4H3/t11-,12?/m1/s1
InChIKeyPAJVAXJIKCLTQJ-JHJMLUEUSA-N
XLogP3.70
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81407154
1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
CID 43673332
(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine
CID 81344166
(1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 97230992
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol
CID 81407326
N-[(1R)-1-(furan-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81402901
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-2-ylethanamine
CID 43121364
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373945
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 79691249
N-[1-(2,4-dichlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43193785
(1S)-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-pyridin-3-ylethanamine
CID 81344839

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine (CID 81407144) is (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine is Cc1cc(C(C)N[C@H](C)c2cccnc2)c(C)o1.
What is the InChIKey of (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine?
The InChIKey is PAJVAXJIKCLTQJ-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-8-15(13(4)18-10)12(3)17-11(2)14-6-5-7-16-9-14/h5-9,11-12,17H,1-4H3/t11-,12?/m1/s1.
What are the key properties of (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine?
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine has a molecular weight of 244.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 81407144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).