1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol

C11H21N3O2 — CID 62016741

IUPAC1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol
SMILESCOCC(O)CN(C)CCn1ccnc1C
InChIInChI=1S/C11H21N3O2/c1-10-12-4-5-14(10)7-6-13(2)8-11(15)9-16-3/h4-5,11,15H,6-9H2,1-3H3
InChIKeyMZXZFLNEKGMAOG-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.13
Rot. Bonds7

About 1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol

1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol (PubChem CID 62016741) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol
PubChem CID62016741
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol
SMILESCOCC(O)CN(C)CCn1ccnc1C
InChIInChI=1S/C11H21N3O2/c1-10-12-4-5-14(10)7-6-13(2)8-11(15)9-16-3/h4-5,11,15H,6-9H2,1-3H3
InChIKeyMZXZFLNEKGMAOG-UHFFFAOYSA-N
XLogP0.13
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol (CID 62016741) is 1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol is COCC(O)CN(C)CCn1ccnc1C.
What is the InChIKey of 1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol?
The InChIKey is MZXZFLNEKGMAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10-12-4-5-14(10)7-6-13(2)8-11(15)9-16-3/h4-5,11,15H,6-9H2,1-3H3.
What are the key properties of 1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol?
1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol has a molecular weight of 227.31 g/mol, XLogP of 0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 62016741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).