N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine

C17H22N2O — CID 82453135

IUPACN-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(OCC)cc2)nc1C
InChIInChI=1S/C17H22N2O/c1-4-18-12-15-8-11-17(19-13(15)3)14-6-9-16(10-7-14)20-5-2/h6-11,18H,4-5,12H2,1-3H3
InChIKeyYUPOJJIXXXBUBJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.57
Rot. Bonds6

About N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine

N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 82453135) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID82453135
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(OCC)cc2)nc1C
InChIInChI=1S/C17H22N2O/c1-4-18-12-15-8-11-17(19-13(15)3)14-6-9-16(10-7-14)20-5-2/h6-11,18H,4-5,12H2,1-3H3
InChIKeyYUPOJJIXXXBUBJ-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine
CID 82453137
N-[[6-(4-methoxyphenyl)-2-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82453109
6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide
CID 82453144
N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558378
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol
CID 82453206
N-[(2,4-diethoxyphenyl)methyl]ethanamine
CID 54804724
N-[[6-(2-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82452876
1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine
CID 116897472
N-[(5-ethoxy-2-pyridinyl)methyl]ethanamine
CID 79775704
4-(4-ethoxyphenyl)-5-methyl-2H-triazole
CID 170147551
[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol
CID 116893816

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine (CID 82453135) is N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine is CCNCc1ccc(-c2ccc(OCC)cc2)nc1C.
What is the InChIKey of N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is YUPOJJIXXXBUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-18-12-15-8-11-17(19-13(15)3)14-6-9-16(10-7-14)20-5-2/h6-11,18H,4-5,12H2,1-3H3.
What are the key properties of N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine?
N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 82453135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).