2-dimethylphosphorylethanamine;hydrochloride

C4H13ClNOP — CID 87354258

IUPAC2-dimethylphosphorylethanamine;hydrochloride
SMILESCP(C)(=O)CCN.Cl
InChIInChI=1S/C4H12NOP.ClH/c1-7(2,6)4-3-5;/h3-5H2,1-2H3;1H
InChIKeyFDDDMSDRASWJGH-UHFFFAOYSA-N
MW157.58 g/mol
LogP0.99
Rot. Bonds2

About 2-dimethylphosphorylethanamine;hydrochloride

2-dimethylphosphorylethanamine;hydrochloride (PubChem CID 87354258) has the molecular formula C4H13ClNOP and a molecular weight of 157.58 g/mol. Its IUPAC name is 2-dimethylphosphorylethanamine;hydrochloride.

Molecular Properties

Compound Name2-dimethylphosphorylethanamine;hydrochloride
PubChem CID87354258
Molecular FormulaC4H13ClNOP
Molecular Weight157.58 g/mol
Exact Mass157.04
IUPAC Name2-dimethylphosphorylethanamine;hydrochloride
SMILESCP(C)(=O)CCN.Cl
InChIInChI=1S/C4H12NOP.ClH/c1-7(2,6)4-3-5;/h3-5H2,1-2H3;1H
InChIKeyFDDDMSDRASWJGH-UHFFFAOYSA-N
XLogP0.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.58
LogP ≤ 50.99
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 2-dimethylphosphorylethanamine;hydrochloride?
The IUPAC name of 2-dimethylphosphorylethanamine;hydrochloride (CID 87354258) is 2-dimethylphosphorylethanamine;hydrochloride.
What is the SMILES notation for 2-dimethylphosphorylethanamine;hydrochloride?
The canonical SMILES for 2-dimethylphosphorylethanamine;hydrochloride is CP(C)(=O)CCN.Cl.
What is the InChIKey of 2-dimethylphosphorylethanamine;hydrochloride?
The InChIKey is FDDDMSDRASWJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NOP.ClH/c1-7(2,6)4-3-5;/h3-5H2,1-2H3;1H.
What are the key properties of 2-dimethylphosphorylethanamine;hydrochloride?
2-dimethylphosphorylethanamine;hydrochloride has a molecular weight of 157.58 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphorylethanamine;hydrochloride is sourced from PubChem (CID 87354258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).