1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine

C16H20N2O — CID 55056902

IUPAC1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2cccc(C)n2)cc1
InChIInChI=1S/C16H20N2O/c1-12-5-4-6-15(18-12)11-17-13(2)14-7-9-16(19-3)10-8-14/h4-10,13,17H,11H2,1-3H3
InChIKeyAVLVXDCNLGIIBP-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.25
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine

1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 55056902) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID55056902
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2cccc(C)n2)cc1
InChIInChI=1S/C16H20N2O/c1-12-5-4-6-15(18-12)11-17-13(2)14-7-9-16(19-3)10-8-14/h4-10,13,17H,11H2,1-3H3
InChIKeyAVLVXDCNLGIIBP-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methyl-2-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 62321412
(1R)-1-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 81347820
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 62321260
6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904831
(1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine
CID 82893911
(1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 82886390
(1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81347461
1-(4-chloro-3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 82994274
N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66241780
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371074
(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81370935
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 62049717

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine (CID 55056902) is 1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine is COc1ccc(C(C)NCc2cccc(C)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is AVLVXDCNLGIIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-5-4-6-15(18-12)11-17-13(2)14-7-9-16(19-3)10-8-14/h4-10,13,17H,11H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 55056902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).