N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine

C18H24N2O — CID 82733612

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
SMILESCCc1cccnc1CNC(C)c1ccc(C)cc1OC
InChIInChI=1S/C18H24N2O/c1-5-15-7-6-10-19-17(15)12-20-14(3)16-9-8-13(2)11-18(16)21-4/h6-11,14,20H,5,12H2,1-4H3
InChIKeyJBTKJELSRGBYTO-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.81
Rot. Bonds6

About N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine

N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine (PubChem CID 82733612) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
PubChem CID82733612
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
SMILESCCc1cccnc1CNC(C)c1ccc(C)cc1OC
InChIInChI=1S/C18H24N2O/c1-5-15-7-6-10-19-17(15)12-20-14(3)16-9-8-13(2)11-18(16)21-4/h6-11,14,20H,5,12H2,1-4H3
InChIKeyJBTKJELSRGBYTO-UHFFFAOYSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 82732936
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 82733459
1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82733903
5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707041
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 103777622
5-methyl-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 55204616
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine
CID 115896280
[4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol
CID 107230187
1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 113261692
1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401623
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82732745
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106370665

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine (CID 82733612) is N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine is CCc1cccnc1CNC(C)c1ccc(C)cc1OC.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine?
The InChIKey is JBTKJELSRGBYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-15-7-6-10-19-17(15)12-20-14(3)16-9-8-13(2)11-18(16)21-4/h6-11,14,20H,5,12H2,1-4H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine?
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 82733612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).