1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine

C16H20N2O — CID 80708293

IUPAC1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
SMILESCOc1ccccc1C(C)NCc1ccc(C)cn1
InChIInChI=1S/C16H20N2O/c1-12-8-9-14(18-10-12)11-17-13(2)15-6-4-5-7-16(15)19-3/h4-10,13,17H,11H2,1-3H3
InChIKeyLQEXVZQRFALAKM-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.25
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine

1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 80708293) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID80708293
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
SMILESCOc1ccccc1C(C)NCc1ccc(C)cn1
InChIInChI=1S/C16H20N2O/c1-12-8-9-14(18-10-12)11-17-13(2)15-6-4-5-7-16(15)19-3/h4-10,13,17H,11H2,1-3H3
InChIKeyLQEXVZQRFALAKM-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

6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol
CID 81396851
1-(2-fluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708851
N-[(5-methyl-2-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 71969191
1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80711317
(1R)-1-(2-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 81397926
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81396914
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229
(1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81397060
(1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397936
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
1-(1,5-dimethylpyrazol-4-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708616
(1S)-1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 81397730

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine (CID 80708293) is 1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine is COc1ccccc1C(C)NCc1ccc(C)cn1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is LQEXVZQRFALAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-8-9-14(18-10-12)11-17-13(2)15-6-4-5-7-16(15)19-3/h4-10,13,17H,11H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
1-(2-methoxyphenyl)-N-[(5-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-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 80708293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).