1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol

C12H20N2O3 — CID 63933376

IUPAC1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
SMILESCCOCC(O)CNCc1cccnc1OC
InChIInChI=1S/C12H20N2O3/c1-3-17-9-11(15)8-13-7-10-5-4-6-14-12(10)16-2/h4-6,11,13,15H,3,7-9H2,1-2H3
InChIKeyMPPFQXSRRRAQND-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.58
Rot. Bonds8

About 1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol

1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol (PubChem CID 63933376) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
PubChem CID63933376
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
SMILESCCOCC(O)CNCc1cccnc1OC
InChIInChI=1S/C12H20N2O3/c1-3-17-9-11(15)8-13-7-10-5-4-6-14-12(10)16-2/h4-6,11,13,15H,3,7-9H2,1-2H3
InChIKeyMPPFQXSRRRAQND-UHFFFAOYSA-N
XLogP0.58
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine
CID 93316989
5-[(2-methoxy-3-pyridinyl)methylamino]pentan-2-ol
CID 106130584
1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 114955407
1-(2-methoxy-3-pyridinyl)-N-(2-methylpropoxy)methanamine
CID 82714723
1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60908484
1-(2,5-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60910476
N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107876007
1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol
CID 63931950
1-ethoxy-3-[(2-nitrophenyl)methylamino]propan-2-ol
CID 63934487
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine
CID 63491513

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol (CID 63933376) is 1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol is CCOCC(O)CNCc1cccnc1OC.
What is the InChIKey of 1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol?
The InChIKey is MPPFQXSRRRAQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-17-9-11(15)8-13-7-10-5-4-6-14-12(10)16-2/h4-6,11,13,15H,3,7-9H2,1-2H3.
What are the key properties of 1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol?
1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol has a molecular weight of 240.30 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol is sourced from PubChem (CID 63933376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).