N-dichlorophosphorylpropan-2-amine

C3H8Cl2NOP — CID 23416071

IUPACN-dichlorophosphorylpropan-2-amine
SMILESCC(C)NP(=O)(Cl)Cl
InChIInChI=1S/C3H8Cl2NOP/c1-3(2)6-8(4,5)7/h3H,1-2H3,(H,6,7)
InChIKeyNEPOPOKEGJIWRK-UHFFFAOYSA-N
MW175.98 g/mol
LogP2.57
Rot. Bonds2

About N-dichlorophosphorylpropan-2-amine

N-dichlorophosphorylpropan-2-amine (PubChem CID 23416071) has the molecular formula C3H8Cl2NOP and a molecular weight of 175.98 g/mol. Its IUPAC name is N-dichlorophosphorylpropan-2-amine.

Molecular Properties

Compound NameN-dichlorophosphorylpropan-2-amine
PubChem CID23416071
Molecular FormulaC3H8Cl2NOP
Molecular Weight175.98 g/mol
Exact Mass174.97
IUPAC NameN-dichlorophosphorylpropan-2-amine
SMILESCC(C)NP(=O)(Cl)Cl
InChIInChI=1S/C3H8Cl2NOP/c1-3(2)6-8(4,5)7/h3H,1-2H3,(H,6,7)
InChIKeyNEPOPOKEGJIWRK-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.98
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-dichlorophosphorylpropan-2-amine?
The IUPAC name of N-dichlorophosphorylpropan-2-amine (CID 23416071) is N-dichlorophosphorylpropan-2-amine.
What is the SMILES notation for N-dichlorophosphorylpropan-2-amine?
The canonical SMILES for N-dichlorophosphorylpropan-2-amine is CC(C)NP(=O)(Cl)Cl.
What is the InChIKey of N-dichlorophosphorylpropan-2-amine?
The InChIKey is NEPOPOKEGJIWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8Cl2NOP/c1-3(2)6-8(4,5)7/h3H,1-2H3,(H,6,7).
What are the key properties of N-dichlorophosphorylpropan-2-amine?
N-dichlorophosphorylpropan-2-amine has a molecular weight of 175.98 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dichlorophosphorylpropan-2-amine is sourced from PubChem (CID 23416071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).