1-methoxypropan-2-amine;hydrochloride

C4H12ClNO — CID 21461379

IUPAC1-methoxypropan-2-amine;hydrochloride
SMILESCOCC(C)N.Cl
InChIInChI=1S/C4H11NO.ClH/c1-4(5)3-6-2;/h4H,3,5H2,1-2H3;1H
InChIKeyRVDUOVVHQKMQLM-UHFFFAOYSA-N
MW125.60 g/mol
LogP0.40
Rot. Bonds2

About 1-methoxypropan-2-amine;hydrochloride

1-methoxypropan-2-amine;hydrochloride (PubChem CID 21461379) has the molecular formula C4H12ClNO and a molecular weight of 125.60 g/mol. Its IUPAC name is 1-methoxypropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-methoxypropan-2-amine;hydrochloride
PubChem CID21461379
Molecular FormulaC4H12ClNO
Molecular Weight125.60 g/mol
Exact Mass125.06
IUPAC Name1-methoxypropan-2-amine;hydrochloride
SMILESCOCC(C)N.Cl
InChIInChI=1S/C4H11NO.ClH/c1-4(5)3-6-2;/h4H,3,5H2,1-2H3;1H
InChIKeyRVDUOVVHQKMQLM-UHFFFAOYSA-N
XLogP0.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.60
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-amine;hydrochloride?
The IUPAC name of 1-methoxypropan-2-amine;hydrochloride (CID 21461379) is 1-methoxypropan-2-amine;hydrochloride.
What is the SMILES notation for 1-methoxypropan-2-amine;hydrochloride?
The canonical SMILES for 1-methoxypropan-2-amine;hydrochloride is COCC(C)N.Cl.
What is the InChIKey of 1-methoxypropan-2-amine;hydrochloride?
The InChIKey is RVDUOVVHQKMQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.ClH/c1-4(5)3-6-2;/h4H,3,5H2,1-2H3;1H.
What are the key properties of 1-methoxypropan-2-amine;hydrochloride?
1-methoxypropan-2-amine;hydrochloride has a molecular weight of 125.60 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-amine;hydrochloride is sourced from PubChem (CID 21461379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).