1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine

C16H22N2O — CID 43776788

IUPAC1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
SMILESCc1cc(C)c(C(C)NC(C)c2ccco2)c(C)n1
InChIInChI=1S/C16H22N2O/c1-10-9-11(2)17-13(4)16(10)14(5)18-12(3)15-7-6-8-19-15/h6-9,12,14,18H,1-5H3
InChIKeyJABWOULWZKTUME-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.01
Rot. Bonds4

About 1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine

1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine (PubChem CID 43776788) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
PubChem CID43776788
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
SMILESCc1cc(C)c(C(C)NC(C)c2ccco2)c(C)n1
InChIInChI=1S/C16H22N2O/c1-10-9-11(2)17-13(4)16(10)14(5)18-12(3)15-7-6-8-19-15/h6-9,12,14,18H,1-5H3
InChIKeyJABWOULWZKTUME-UHFFFAOYSA-N
XLogP4.01
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 43754949
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 79236746
(1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 81375605
1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767368
1-(3-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767416
(1S)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 63750724
(1R)-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81403834
N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81301586
1-cyclohexyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 62405192
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 43535437
(1R)-N-[1-(furan-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81350046
(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371559

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine (CID 43776788) is 1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine is Cc1cc(C)c(C(C)NC(C)c2ccco2)c(C)n1.
What is the InChIKey of 1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine?
The InChIKey is JABWOULWZKTUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-9-11(2)17-13(4)16(10)14(5)18-12(3)15-7-6-8-19-15/h6-9,12,14,18H,1-5H3.
What are the key properties of 1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine?
1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine has a molecular weight of 258.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine is sourced from PubChem (CID 43776788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).