(2S)-1-methoxypropan-2-amine;hydrochloride

C4H12ClNO — CID 54596079

IUPAC(2S)-1-methoxypropan-2-amine;hydrochloride
SMILESCOC[C@H](C)N.Cl
InChIInChI=1S/C4H11NO.ClH/c1-4(5)3-6-2;/h4H,3,5H2,1-2H3;1H/t4-;/m0./s1
InChIKeyRVDUOVVHQKMQLM-WCCKRBBISA-N
MW125.60 g/mol
LogP0.40
Rot. Bonds2

About (2S)-1-methoxypropan-2-amine;hydrochloride

(2S)-1-methoxypropan-2-amine;hydrochloride (PubChem CID 54596079) has the molecular formula C4H12ClNO and a molecular weight of 125.60 g/mol. Its IUPAC name is (2S)-1-methoxypropan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-1-methoxypropan-2-amine;hydrochloride
PubChem CID54596079
Molecular FormulaC4H12ClNO
Molecular Weight125.60 g/mol
Exact Mass125.06
IUPAC Name(2S)-1-methoxypropan-2-amine;hydrochloride
SMILESCOC[C@H](C)N.Cl
InChIInChI=1S/C4H11NO.ClH/c1-4(5)3-6-2;/h4H,3,5H2,1-2H3;1H/t4-;/m0./s1
InChIKeyRVDUOVVHQKMQLM-WCCKRBBISA-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 (2S)-1-methoxypropan-2-amine;hydrochloride?
The IUPAC name of (2S)-1-methoxypropan-2-amine;hydrochloride (CID 54596079) is (2S)-1-methoxypropan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-1-methoxypropan-2-amine;hydrochloride?
The canonical SMILES for (2S)-1-methoxypropan-2-amine;hydrochloride is COC[C@H](C)N.Cl.
What is the InChIKey of (2S)-1-methoxypropan-2-amine;hydrochloride?
The InChIKey is RVDUOVVHQKMQLM-WCCKRBBISA-N. The full InChI is InChI=1S/C4H11NO.ClH/c1-4(5)3-6-2;/h4H,3,5H2,1-2H3;1H/t4-;/m0./s1.
What are the key properties of (2S)-1-methoxypropan-2-amine;hydrochloride?
(2S)-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 (2S)-1-methoxypropan-2-amine;hydrochloride is sourced from PubChem (CID 54596079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).