1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine

C16H20N2O2 — CID 43182272

IUPAC1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCOc1ccc(OC)c(C(C)NCc2cccnc2)c1
InChIInChI=1S/C16H20N2O2/c1-12(18-11-13-5-4-8-17-10-13)15-9-14(19-2)6-7-16(15)20-3/h4-10,12,18H,11H2,1-3H3
InChIKeyWSJYEFMUOKJZNK-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.95
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine

1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 43182272) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID43182272
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCOc1ccc(OC)c(C(C)NCc2cccnc2)c1
InChIInChI=1S/C16H20N2O2/c1-12(18-11-13-5-4-8-17-10-13)15-9-14(19-2)6-7-16(15)20-3/h4-10,12,18H,11H2,1-3H3
InChIKeyWSJYEFMUOKJZNK-UHFFFAOYSA-N
XLogP2.95
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62994899
N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine
CID 43224440
(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 9396251
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid
CID 17382607
N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 75495399
1-(2,5-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43722056
1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine
CID 170982893
1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 51086161
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 948867
N-[(3-chloro-4-fluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine
CID 119165246
1-(2,5-dimethoxyphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115761519

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine (CID 43182272) is 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine is COc1ccc(OC)c(C(C)NCc2cccnc2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is WSJYEFMUOKJZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(18-11-13-5-4-8-17-10-13)15-9-14(19-2)6-7-16(15)20-3/h4-10,12,18H,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 43182272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).