4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol

C10H21NO3 — CID 83819615

IUPAC4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol
SMILESCOCC(CCO)NCC1CCCO1
InChIInChI=1S/C10H21NO3/c1-13-8-9(4-5-12)11-7-10-3-2-6-14-10/h9-12H,2-8H2,1H3
InChIKeyZZVKVBMICWFJCA-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.15
Rot. Bonds7

About 4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol

4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol (PubChem CID 83819615) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol
PubChem CID83819615
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol
SMILESCOCC(CCO)NCC1CCCO1
InChIInChI=1S/C10H21NO3/c1-13-8-9(4-5-12)11-7-10-3-2-6-14-10/h9-12H,2-8H2,1H3
InChIKeyZZVKVBMICWFJCA-UHFFFAOYSA-N
XLogP0.15
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-fluoro-3-methoxy-N-(oxolan-2-ylmethyl)propan-2-amine
CID 83818042
(2R)-1-methoxy-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 28571154
3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83177846
(2S)-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 104980595
4,4-dimethyl-3-(oxolan-2-ylmethylamino)pentan-1-ol
CID 104628087
N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
1-methoxy-N-(oxan-2-ylmethyl)propan-2-amine
CID 43403662
2-(oxan-2-ylmethylamino)propane-1,3-diol
CID 65314164
4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol
CID 106157163
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol
CID 106159943
1,1-bis(oxolan-2-ylmethylamino)propan-2-ol
CID 90119922

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol?
The IUPAC name of 4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol (CID 83819615) is 4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol.
What is the SMILES notation for 4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol?
The canonical SMILES for 4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol is COCC(CCO)NCC1CCCO1.
What is the InChIKey of 4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol?
The InChIKey is ZZVKVBMICWFJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-13-8-9(4-5-12)11-7-10-3-2-6-14-10/h9-12H,2-8H2,1H3.
What are the key properties of 4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol?
4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol has a molecular weight of 203.28 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol is sourced from PubChem (CID 83819615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).