2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine

C11H18N2O — CID 114699579

IUPAC2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCOC(C)CNCc1ccncc1C
InChIInChI=1S/C11H18N2O/c1-9-6-12-5-4-11(9)8-13-7-10(2)14-3/h4-6,10,13H,7-8H2,1-3H3
InChIKeyWCVLYOHZGMTNBX-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.51
Rot. Bonds5

About 2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine

2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine (PubChem CID 114699579) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
PubChem CID114699579
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCOC(C)CNCc1ccncc1C
InChIInChI=1S/C11H18N2O/c1-9-6-12-5-4-11(9)8-13-7-10(2)14-3/h4-6,10,13H,7-8H2,1-3H3
InChIKeyWCVLYOHZGMTNBX-UHFFFAOYSA-N
XLogP1.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid
CID 114699734
1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine
CID 114698943
1-(4-methylpentoxy)-3-[(3-methyl-4-pyridinyl)methylamino]propan-2-ol
CID 114699671
2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114699562
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine
CID 102696485
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
1-(4-chlorophenoxy)-3-[(3-methyl-4-pyridinyl)methylamino]propan-2-ol
CID 114699701
methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate
CID 114699901
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698588
N-[(3-methyl-4-pyridinyl)methyl]-2-propoxyethanamine
CID 106452631
4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698554
N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698965

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine (CID 114699579) is 2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine is COC(C)CNCc1ccncc1C.
What is the InChIKey of 2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is WCVLYOHZGMTNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-6-12-5-4-11(9)8-13-7-10(2)14-3/h4-6,10,13H,7-8H2,1-3H3.
What are the key properties of 2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine?
2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 114699579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).