(1S)-1-dimethylphosphorylethanamine;hydrochloride

C4H13ClNOP — CID 165478883

IUPAC(1S)-1-dimethylphosphorylethanamine;hydrochloride
SMILESC[C@@H](N)P(C)(C)=O.Cl
InChIInChI=1S/C4H12NOP.ClH/c1-4(5)7(2,3)6;/h4H,5H2,1-3H3;1H/t4-;/m0./s1
InChIKeyFXCGCMMBKQKSJY-WCCKRBBISA-N
MW157.58 g/mol
LogP1.34
Rot. Bonds1

About (1S)-1-dimethylphosphorylethanamine;hydrochloride

(1S)-1-dimethylphosphorylethanamine;hydrochloride (PubChem CID 165478883) has the molecular formula C4H13ClNOP and a molecular weight of 157.58 g/mol. Its IUPAC name is (1S)-1-dimethylphosphorylethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-dimethylphosphorylethanamine;hydrochloride
PubChem CID165478883
Molecular FormulaC4H13ClNOP
Molecular Weight157.58 g/mol
Exact Mass157.04
IUPAC Name(1S)-1-dimethylphosphorylethanamine;hydrochloride
SMILESC[C@@H](N)P(C)(C)=O.Cl
InChIInChI=1S/C4H12NOP.ClH/c1-4(5)7(2,3)6;/h4H,5H2,1-3H3;1H/t4-;/m0./s1
InChIKeyFXCGCMMBKQKSJY-WCCKRBBISA-N
XLogP1.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.58
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-dimethylphosphorylethanamine;hydrochloride?
The IUPAC name of (1S)-1-dimethylphosphorylethanamine;hydrochloride (CID 165478883) is (1S)-1-dimethylphosphorylethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-dimethylphosphorylethanamine;hydrochloride?
The canonical SMILES for (1S)-1-dimethylphosphorylethanamine;hydrochloride is C[C@@H](N)P(C)(C)=O.Cl.
What is the InChIKey of (1S)-1-dimethylphosphorylethanamine;hydrochloride?
The InChIKey is FXCGCMMBKQKSJY-WCCKRBBISA-N. The full InChI is InChI=1S/C4H12NOP.ClH/c1-4(5)7(2,3)6;/h4H,5H2,1-3H3;1H/t4-;/m0./s1.
What are the key properties of (1S)-1-dimethylphosphorylethanamine;hydrochloride?
(1S)-1-dimethylphosphorylethanamine;hydrochloride has a molecular weight of 157.58 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-dimethylphosphorylethanamine;hydrochloride is sourced from PubChem (CID 165478883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).