1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol

C13H23N3O2 — CID 62464336

IUPAC1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol
SMILESCCNc1cc(CN(C)CC(O)COC)ccn1
InChIInChI=1S/C13H23N3O2/c1-4-14-13-7-11(5-6-15-13)8-16(2)9-12(17)10-18-3/h5-7,12,17H,4,8-10H2,1-3H3,(H,14,15)
InChIKeyYXBRJEAVDCRRDK-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.95
Rot. Bonds8

About 1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol

1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol (PubChem CID 62464336) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol
PubChem CID62464336
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol
SMILESCCNc1cc(CN(C)CC(O)COC)ccn1
InChIInChI=1S/C13H23N3O2/c1-4-14-13-7-11(5-6-15-13)8-16(2)9-12(17)10-18-3/h5-7,12,17H,4,8-10H2,1-3H3,(H,14,15)
InChIKeyYXBRJEAVDCRRDK-UHFFFAOYSA-N
XLogP0.95
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

1-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 62016328
4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 81074834
4-[[benzyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 55075738
4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469698
1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol
CID 55046573
2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide
CID 62472420
1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62016738
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62176231
1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 62015545
N-ethyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 55075650
4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407
N-ethyl-4-[[furan-2-ylmethyl(methyl)amino]methyl]pyridin-2-amine
CID 62471347

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol (CID 62464336) is 1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol is CCNc1cc(CN(C)CC(O)COC)ccn1.
What is the InChIKey of 1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol?
The InChIKey is YXBRJEAVDCRRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-14-13-7-11(5-6-15-13)8-16(2)9-12(17)10-18-3/h5-7,12,17H,4,8-10H2,1-3H3,(H,14,15).
What are the key properties of 1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol?
1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 62464336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).