(2S)-2-(methylamino)propan-1-ol;hydrochloride

C4H12ClNO — CID 46942002

IUPAC(2S)-2-(methylamino)propan-1-ol;hydrochloride
SMILESCN[C@@H](C)CO.Cl
InChIInChI=1S/C4H11NO.ClH/c1-4(3-6)5-2;/h4-6H,3H2,1-2H3;1H/t4-;/m0./s1
InChIKeyZDLYDAGNAVKVBZ-WCCKRBBISA-N
MW125.60 g/mol
LogP0.01
Rot. Bonds2

About (2S)-2-(methylamino)propan-1-ol;hydrochloride

(2S)-2-(methylamino)propan-1-ol;hydrochloride (PubChem CID 46942002) has the molecular formula C4H12ClNO and a molecular weight of 125.60 g/mol. Its IUPAC name is (2S)-2-(methylamino)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(methylamino)propan-1-ol;hydrochloride
PubChem CID46942002
Molecular FormulaC4H12ClNO
Molecular Weight125.60 g/mol
Exact Mass125.06
IUPAC Name(2S)-2-(methylamino)propan-1-ol;hydrochloride
SMILESCN[C@@H](C)CO.Cl
InChIInChI=1S/C4H11NO.ClH/c1-4(3-6)5-2;/h4-6H,3H2,1-2H3;1H/t4-;/m0./s1
InChIKeyZDLYDAGNAVKVBZ-WCCKRBBISA-N
XLogP0.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.60
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)propan-1-ol;hydrochloride?
The IUPAC name of (2S)-2-(methylamino)propan-1-ol;hydrochloride (CID 46942002) is (2S)-2-(methylamino)propan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-2-(methylamino)propan-1-ol;hydrochloride?
The canonical SMILES for (2S)-2-(methylamino)propan-1-ol;hydrochloride is CN[C@@H](C)CO.Cl.
What is the InChIKey of (2S)-2-(methylamino)propan-1-ol;hydrochloride?
The InChIKey is ZDLYDAGNAVKVBZ-WCCKRBBISA-N. The full InChI is InChI=1S/C4H11NO.ClH/c1-4(3-6)5-2;/h4-6H,3H2,1-2H3;1H/t4-;/m0./s1.
What are the key properties of (2S)-2-(methylamino)propan-1-ol;hydrochloride?
(2S)-2-(methylamino)propan-1-ol;hydrochloride has a molecular weight of 125.60 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)propan-1-ol;hydrochloride is sourced from PubChem (CID 46942002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).