2,3-dimethoxypropan-1-amine;hydrochloride

C5H14ClNO2 — CID 71758616

IUPAC2,3-dimethoxypropan-1-amine;hydrochloride
SMILESCOCC(CN)OC.Cl
InChIInChI=1S/C5H13NO2.ClH/c1-7-4-5(3-6)8-2;/h5H,3-4,6H2,1-2H3;1H
InChIKeyCHKTYWCZLZCJTM-UHFFFAOYSA-N
MW155.62 g/mol
LogP0.03
Rot. Bonds4

About 2,3-dimethoxypropan-1-amine;hydrochloride

2,3-dimethoxypropan-1-amine;hydrochloride (PubChem CID 71758616) has the molecular formula C5H14ClNO2 and a molecular weight of 155.62 g/mol. Its IUPAC name is 2,3-dimethoxypropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,3-dimethoxypropan-1-amine;hydrochloride
PubChem CID71758616
Molecular FormulaC5H14ClNO2
Molecular Weight155.62 g/mol
Exact Mass155.07
IUPAC Name2,3-dimethoxypropan-1-amine;hydrochloride
SMILESCOCC(CN)OC.Cl
InChIInChI=1S/C5H13NO2.ClH/c1-7-4-5(3-6)8-2;/h5H,3-4,6H2,1-2H3;1H
InChIKeyCHKTYWCZLZCJTM-UHFFFAOYSA-N
XLogP0.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.62
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxypropan-1-amine;hydrochloride?
The IUPAC name of 2,3-dimethoxypropan-1-amine;hydrochloride (CID 71758616) is 2,3-dimethoxypropan-1-amine;hydrochloride.
What is the SMILES notation for 2,3-dimethoxypropan-1-amine;hydrochloride?
The canonical SMILES for 2,3-dimethoxypropan-1-amine;hydrochloride is COCC(CN)OC.Cl.
What is the InChIKey of 2,3-dimethoxypropan-1-amine;hydrochloride?
The InChIKey is CHKTYWCZLZCJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.ClH/c1-7-4-5(3-6)8-2;/h5H,3-4,6H2,1-2H3;1H.
What are the key properties of 2,3-dimethoxypropan-1-amine;hydrochloride?
2,3-dimethoxypropan-1-amine;hydrochloride has a molecular weight of 155.62 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxypropan-1-amine;hydrochloride is sourced from PubChem (CID 71758616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).