4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol

C12H26N2O3 — CID 114164684

IUPAC4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol
SMILESCOCCC(C)(O)CNCC1CN(C)CCO1
InChIInChI=1S/C12H26N2O3/c1-12(15,4-6-16-3)10-13-8-11-9-14(2)5-7-17-11/h11,13,15H,4-10H2,1-3H3
InChIKeyJSTAPFUVCIQPKZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.31
Rot. Bonds7

About 4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol

4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol (PubChem CID 114164684) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol
PubChem CID114164684
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol
SMILESCOCCC(C)(O)CNCC1CN(C)CCO1
InChIInChI=1S/C12H26N2O3/c1-12(15,4-6-16-3)10-13-8-11-9-14(2)5-7-17-11/h11,13,15H,4-10H2,1-3H3
InChIKeyJSTAPFUVCIQPKZ-UHFFFAOYSA-N
XLogP-0.31
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
CID 106123425
2-[2-[(4-methylmorpholin-2-yl)methylamino]ethoxy]ethanol
CID 78998731
1-(3-methoxypropyl)-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110974815
methyl 4-[(4-methylmorpholin-2-yl)methylamino]butanoate
CID 78967404
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-2-amine
CID 115616636
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 103838373
2-(azetidin-3-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 79083364
methyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate
CID 103255442
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 129432103
3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid
CID 79070869

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol (CID 114164684) is 4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol is COCCC(C)(O)CNCC1CN(C)CCO1.
What is the InChIKey of 4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol?
The InChIKey is JSTAPFUVCIQPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-12(15,4-6-16-3)10-13-8-11-9-14(2)5-7-17-11/h11,13,15H,4-10H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol?
4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol has a molecular weight of 246.35 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol is sourced from PubChem (CID 114164684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).