N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine

C18H24N2O — CID 103433974

IUPACN-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cnccc1C)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H24N2O/c1-6-20-17(16-11-19-10-9-13(16)3)15-8-7-12(2)14(4)18(15)21-5/h7-11,17,20H,6H2,1-5H3
InChIKeyDGQCUKLBHZEREW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.71
Rot. Bonds5

About N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine

N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 103433974) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID103433974
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cnccc1C)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H24N2O/c1-6-20-17(16-11-19-10-9-13(16)3)15-8-7-12(2)14(4)18(15)21-5/h7-11,17,20H,6H2,1-5H3
InChIKeyDGQCUKLBHZEREW-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 103433341
N-[(2-methoxy-3,4-dimethylphenyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 103435298
N-[(4-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433284
N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 105006477
N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 114878306
N-[(2-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105164386
N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 105006456
N-[(2,4-dimethylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine
CID 105065558
(3-ethyl-4-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103433219
N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 114330731
N-[(3,5-difluorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 66272491
N-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine
CID 105006568

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine (CID 103433974) is N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1cnccc1C)c1ccc(C)c(C)c1OC.
What is the InChIKey of N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is DGQCUKLBHZEREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-6-20-17(16-11-19-10-9-13(16)3)15-8-7-12(2)14(4)18(15)21-5/h7-11,17,20H,6H2,1-5H3.
What are the key properties of N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine?
N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 103433974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).