2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine

C16H20N2O3 — CID 43121506

IUPAC2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(OC)c(C(N)Cc2ccccn2)cc1OC
InChIInChI=1S/C16H20N2O3/c1-19-14-10-16(21-3)15(20-2)9-12(14)13(17)8-11-6-4-5-7-18-11/h4-7,9-10,13H,8,17H2,1-3H3
InChIKeyVZKGNOURRKKCHY-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.35
Rot. Bonds6

About 2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine

2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine (PubChem CID 43121506) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
PubChem CID43121506
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(OC)c(C(N)Cc2ccccn2)cc1OC
InChIInChI=1S/C16H20N2O3/c1-19-14-10-16(21-3)15(20-2)9-12(14)13(17)8-11-6-4-5-7-18-11/h4-7,9-10,13H,8,17H2,1-3H3
InChIKeyVZKGNOURRKKCHY-UHFFFAOYSA-N
XLogP2.35
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118872
1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118845
2-[2-chloro-2-(2,4,5-trimethoxyphenyl)ethyl]pyridine
CID 66460381
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 61077725
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105145160
1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105179118
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
2-(5-fluoro-2-methoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83974822
[1-(5-chloro-2-methoxyphenyl)-3-pyridin-2-ylpropan-2-yl]hydrazine
CID 105199913
3-amino-4-pyridin-2-yl-1-(3,4,5-trimethoxyphenyl)butan-1-one
CID 67619578
2-methoxy-5-(1-phenyl-2-pyridin-2-ylethyl)phenol
CID 70075288

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of 2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine (CID 43121506) is 2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for 2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine is COc1cc(OC)c(C(N)Cc2ccccn2)cc1OC.
What is the InChIKey of 2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is VZKGNOURRKKCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-14-10-16(21-3)15(20-2)9-12(14)13(17)8-11-6-4-5-7-18-11/h4-7,9-10,13H,8,17H2,1-3H3.
What are the key properties of 2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine?
2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 288.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 43121506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).