1,1,2-tribromo-N,N-diethyl-2-phosphanylethanamine

C6H13Br3NP — CID 141392832

IUPAC1,1,2-tribromo-N,N-diethyl-2-phosphanylethanamine
SMILESCCN(CC)C(Br)(Br)C(P)Br
InChIInChI=1S/C6H13Br3NP/c1-3-10(4-2)6(8,9)5(7)11/h5H,3-4,11H2,1-2H3
InChIKeyVWCUWFXYURFCIQ-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.37
Rot. Bonds4

About 1,1,2-tribromo-N,N-diethyl-2-phosphanylethanamine

1,1,2-tribromo-N,N-diethyl-2-phosphanylethanamine (PubChem CID 141392832) has the molecular formula C6H13Br3NP and a molecular weight of 369.86 g/mol. Its IUPAC name is 1,1,2-tribromo-N,N-diethyl-2-phosphanylethanamine.

Molecular Properties

Compound Name1,1,2-tribromo-N,N-diethyl-2-phosphanylethanamine
PubChem CID141392832
Molecular FormulaC6H13Br3NP
Molecular Weight369.86 g/mol
Exact Mass366.83
IUPAC Name1,1,2-tribromo-N,N-diethyl-2-phosphanylethanamine
SMILESCCN(CC)C(Br)(Br)C(P)Br
InChIInChI=1S/C6H13Br3NP/c1-3-10(4-2)6(8,9)5(7)11/h5H,3-4,11H2,1-2H3
InChIKeyVWCUWFXYURFCIQ-UHFFFAOYSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-tribromo-N,N-diethyl-2-phosphanylethanamine?
The IUPAC name of 1,1,2-tribromo-N,N-diethyl-2-phosphanylethanamine (CID 141392832) is 1,1,2-tribromo-N,N-diethyl-2-phosphanylethanamine.
What is the SMILES notation for 1,1,2-tribromo-N,N-diethyl-2-phosphanylethanamine?
The canonical SMILES for 1,1,2-tribromo-N,N-diethyl-2-phosphanylethanamine is CCN(CC)C(Br)(Br)C(P)Br.
What is the InChIKey of 1,1,2-tribromo-N,N-diethyl-2-phosphanylethanamine?
The InChIKey is VWCUWFXYURFCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13Br3NP/c1-3-10(4-2)6(8,9)5(7)11/h5H,3-4,11H2,1-2H3.
What are the key properties of 1,1,2-tribromo-N,N-diethyl-2-phosphanylethanamine?
1,1,2-tribromo-N,N-diethyl-2-phosphanylethanamine has a molecular weight of 369.86 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tribromo-N,N-diethyl-2-phosphanylethanamine is sourced from PubChem (CID 141392832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).