3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol

C11H18N2O3 — CID 103172250

IUPAC3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
SMILESCOc1ccnc(CNCCCO)c1OC
InChIInChI=1S/C11H18N2O3/c1-15-10-4-6-13-9(11(10)16-2)8-12-5-3-7-14/h4,6,12,14H,3,5,7-8H2,1-2H3
InChIKeyWPASVBDHXJKZNY-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.57
Rot. Bonds7

About 3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol

3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol (PubChem CID 103172250) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
PubChem CID103172250
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
SMILESCOc1ccnc(CNCCCO)c1OC
InChIInChI=1S/C11H18N2O3/c1-15-10-4-6-13-9(11(10)16-2)8-12-5-3-7-14/h4,6,12,14H,3,5,7-8H2,1-2H3
InChIKeyWPASVBDHXJKZNY-UHFFFAOYSA-N
XLogP0.57
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045547
4-[(3,4-dimethoxy-2-pyridinyl)methylamino]butanamide
CID 103172274
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 103172731
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
CID 103172790
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(triazol-1-yl)propan-1-amine
CID 103172723
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
CID 103172793
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 103172132
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-phenylsulfanylethanamine
CID 103172287
N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172115
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(4-methylphenyl)methanamine
CID 103172192
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106415901

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol?
The IUPAC name of 3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol (CID 103172250) is 3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol is COc1ccnc(CNCCCO)c1OC.
What is the InChIKey of 3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol?
The InChIKey is WPASVBDHXJKZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-15-10-4-6-13-9(11(10)16-2)8-12-5-3-7-14/h4,6,12,14H,3,5,7-8H2,1-2H3.
What are the key properties of 3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol?
3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol has a molecular weight of 226.28 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol is sourced from PubChem (CID 103172250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).