2-(methylamino)-3-propan-2-yloxypropan-1-ol;hydrochloride

C7H18ClNO2 — CID 86775596

IUPAC2-(methylamino)-3-propan-2-yloxypropan-1-ol;hydrochloride
SMILESCNC(CO)COC(C)C.Cl
InChIInChI=1S/C7H17NO2.ClH/c1-6(2)10-5-7(4-9)8-3;/h6-9H,4-5H2,1-3H3;1H
InChIKeyYRJLWFYCDWHROC-UHFFFAOYSA-N
MW183.68 g/mol
LogP0.41
Rot. Bonds5

About 2-(methylamino)-3-propan-2-yloxypropan-1-ol;hydrochloride

2-(methylamino)-3-propan-2-yloxypropan-1-ol;hydrochloride (PubChem CID 86775596) has the molecular formula C7H18ClNO2 and a molecular weight of 183.68 g/mol. Its IUPAC name is 2-(methylamino)-3-propan-2-yloxypropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-3-propan-2-yloxypropan-1-ol;hydrochloride
PubChem CID86775596
Molecular FormulaC7H18ClNO2
Molecular Weight183.68 g/mol
Exact Mass183.10
IUPAC Name2-(methylamino)-3-propan-2-yloxypropan-1-ol;hydrochloride
SMILESCNC(CO)COC(C)C.Cl
InChIInChI=1S/C7H17NO2.ClH/c1-6(2)10-5-7(4-9)8-3;/h6-9H,4-5H2,1-3H3;1H
InChIKeyYRJLWFYCDWHROC-UHFFFAOYSA-N
XLogP0.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-propan-2-yloxypropan-1-ol;hydrochloride?
The IUPAC name of 2-(methylamino)-3-propan-2-yloxypropan-1-ol;hydrochloride (CID 86775596) is 2-(methylamino)-3-propan-2-yloxypropan-1-ol;hydrochloride.
What is the SMILES notation for 2-(methylamino)-3-propan-2-yloxypropan-1-ol;hydrochloride?
The canonical SMILES for 2-(methylamino)-3-propan-2-yloxypropan-1-ol;hydrochloride is CNC(CO)COC(C)C.Cl.
What is the InChIKey of 2-(methylamino)-3-propan-2-yloxypropan-1-ol;hydrochloride?
The InChIKey is YRJLWFYCDWHROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2.ClH/c1-6(2)10-5-7(4-9)8-3;/h6-9H,4-5H2,1-3H3;1H.
What are the key properties of 2-(methylamino)-3-propan-2-yloxypropan-1-ol;hydrochloride?
2-(methylamino)-3-propan-2-yloxypropan-1-ol;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-propan-2-yloxypropan-1-ol;hydrochloride is sourced from PubChem (CID 86775596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).