[4-(chloromethyl)phenyl]methyl-tris(dimethylamino)phosphanium chloride

C14H26Cl2N3P — CID 3056468

IUPAC[4-(chloromethyl)phenyl]methyl-tris(dimethylamino)phosphanium chloride
SMILESCN(C)[P+](Cc1ccc(CCl)cc1)(N(C)C)N(C)C.[Cl-]
InChIInChI=1S/C14H26ClN3P.ClH/c1-16(2)19(17(3)4,18(5)6)12-14-9-7-13(11-15)8-10-14;/h7-10H,11-12H2,1-6H3;1H/q+1;/p-1
InChIKeyOGOILEJLADQYGI-UHFFFAOYSA-M
MW338.26 g/mol
LogP0.38
Rot. Bonds6

About [4-(chloromethyl)phenyl]methyl-tris(dimethylamino)phosphanium chloride

[4-(chloromethyl)phenyl]methyl-tris(dimethylamino)phosphanium chloride (PubChem CID 3056468) has the molecular formula C14H26Cl2N3P and a molecular weight of 338.26 g/mol. Its IUPAC name is [4-(chloromethyl)phenyl]methyl-tris(dimethylamino)phosphanium chloride.

Molecular Properties

Compound Name[4-(chloromethyl)phenyl]methyl-tris(dimethylamino)phosphanium chloride
PubChem CID3056468
Molecular FormulaC14H26Cl2N3P
Molecular Weight338.26 g/mol
Exact Mass337.12
IUPAC Name[4-(chloromethyl)phenyl]methyl-tris(dimethylamino)phosphanium chloride
SMILESCN(C)[P+](Cc1ccc(CCl)cc1)(N(C)C)N(C)C.[Cl-]
InChIInChI=1S/C14H26ClN3P.ClH/c1-16(2)19(17(3)4,18(5)6)12-14-9-7-13(11-15)8-10-14;/h7-10H,11-12H2,1-6H3;1H/q+1;/p-1
InChIKeyOGOILEJLADQYGI-UHFFFAOYSA-M
XLogP0.38
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)phenyl]methyl-tris(dimethylamino)phosphanium chloride?
The IUPAC name of [4-(chloromethyl)phenyl]methyl-tris(dimethylamino)phosphanium chloride (CID 3056468) is [4-(chloromethyl)phenyl]methyl-tris(dimethylamino)phosphanium chloride.
What is the SMILES notation for [4-(chloromethyl)phenyl]methyl-tris(dimethylamino)phosphanium chloride?
The canonical SMILES for [4-(chloromethyl)phenyl]methyl-tris(dimethylamino)phosphanium chloride is CN(C)[P+](Cc1ccc(CCl)cc1)(N(C)C)N(C)C.[Cl-].
What is the InChIKey of [4-(chloromethyl)phenyl]methyl-tris(dimethylamino)phosphanium chloride?
The InChIKey is OGOILEJLADQYGI-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H26ClN3P.ClH/c1-16(2)19(17(3)4,18(5)6)12-14-9-7-13(11-15)8-10-14;/h7-10H,11-12H2,1-6H3;1H/q+1;/p-1.
What are the key properties of [4-(chloromethyl)phenyl]methyl-tris(dimethylamino)phosphanium chloride?
[4-(chloromethyl)phenyl]methyl-tris(dimethylamino)phosphanium chloride has a molecular weight of 338.26 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenyl]methyl-tris(dimethylamino)phosphanium chloride is sourced from PubChem (CID 3056468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).