1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine

C16H20N2O — CID 60962438

IUPAC1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
SMILESCCOc1ccc(CNCc2cccc(C)n2)cc1
InChIInChI=1S/C16H20N2O/c1-3-19-16-9-7-14(8-10-16)11-17-12-15-6-4-5-13(2)18-15/h4-10,17H,3,11-12H2,1-2H3
InChIKeyUFYOOJHWYUWRNB-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.08
Rot. Bonds6

About 1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine

1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine (PubChem CID 60962438) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
PubChem CID60962438
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
SMILESCCOc1ccc(CNCc2cccc(C)n2)cc1
InChIInChI=1S/C16H20N2O/c1-3-19-16-9-7-14(8-10-16)11-17-12-15-6-4-5-13(2)18-15/h4-10,17H,3,11-12H2,1-2H3
InChIKeyUFYOOJHWYUWRNB-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 78895511
1-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962176
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
1-[(4-ethoxyphenyl)methyl]-1,2-dimethyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111275486
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109
N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 115767649
1-(2-methoxy-4-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 79267784
N-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline
CID 78894850
[3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol
CID 103648633
1-(3-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962175

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine (CID 60962438) is 1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine is CCOc1ccc(CNCc2cccc(C)n2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine?
The InChIKey is UFYOOJHWYUWRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-19-16-9-7-14(8-10-16)11-17-12-15-6-4-5-13(2)18-15/h4-10,17H,3,11-12H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine?
1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 60962438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).