1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine

C17H22N2O3 — CID 47008253

IUPAC1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(CNC(C)c2ccccn2)cc(OC)c1OC
InChIInChI=1S/C17H22N2O3/c1-12(14-7-5-6-8-18-14)19-11-13-9-15(20-2)17(22-4)16(10-13)21-3/h5-10,12,19H,11H2,1-4H3
InChIKeyNNFJPSRVWARJTQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.96
Rot. Bonds7

About 1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine

1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine (PubChem CID 47008253) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
PubChem CID47008253
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(CNC(C)c2ccccn2)cc(OC)c1OC
InChIInChI=1S/C17H22N2O3/c1-12(14-7-5-6-8-18-14)19-11-13-9-15(20-2)17(22-4)16(10-13)21-3/h5-10,12,19H,11H2,1-4H3
InChIKeyNNFJPSRVWARJTQ-UHFFFAOYSA-N
XLogP2.96
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 78978043
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81402354
2-methoxy-4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
CID 106787755
1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051180
1-(1,3-thiazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 115878914
N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 43206290
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-pyridin-2-ylethanamine;hydrochloride
CID 47008250
(1S)-N-[(3-methoxy-5-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 81392926
(1R)-1-(2-bromophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 30615952
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine (CID 47008253) is 1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine is COc1cc(CNC(C)c2ccccn2)cc(OC)c1OC.
What is the InChIKey of 1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is NNFJPSRVWARJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(14-7-5-6-8-18-14)19-11-13-9-15(20-2)17(22-4)16(10-13)21-3/h5-10,12,19H,11H2,1-4H3.
What are the key properties of 1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 302.37 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 47008253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).