[2,6-bis[(dimethylamino)methyl]phenyl]-chlorophosphanium chloride

C12H21Cl2N2P — CID 16687657

IUPAC[2,6-bis[(dimethylamino)methyl]phenyl]-chlorophosphanium chloride
SMILESCN(C)Cc1cccc(CN(C)C)c1[PH2+]Cl.[Cl-]
InChIInChI=1S/C12H20ClN2P.ClH/c1-14(2)8-10-6-5-7-11(9-15(3)4)12(10)16-13;/h5-7,16H,8-9H2,1-4H3;1H
InChIKeyWVLCUUBTGKBACQ-UHFFFAOYSA-N
MW295.19 g/mol
LogP-1.00
Rot. Bonds5

About [2,6-bis[(dimethylamino)methyl]phenyl]-chlorophosphanium chloride

[2,6-bis[(dimethylamino)methyl]phenyl]-chlorophosphanium chloride (PubChem CID 16687657) has the molecular formula C12H21Cl2N2P and a molecular weight of 295.19 g/mol. Its IUPAC name is [2,6-bis[(dimethylamino)methyl]phenyl]-chlorophosphanium chloride.

Molecular Properties

Compound Name[2,6-bis[(dimethylamino)methyl]phenyl]-chlorophosphanium chloride
PubChem CID16687657
Molecular FormulaC12H21Cl2N2P
Molecular Weight295.19 g/mol
Exact Mass294.08
IUPAC Name[2,6-bis[(dimethylamino)methyl]phenyl]-chlorophosphanium chloride
SMILESCN(C)Cc1cccc(CN(C)C)c1[PH2+]Cl.[Cl-]
InChIInChI=1S/C12H20ClN2P.ClH/c1-14(2)8-10-6-5-7-11(9-15(3)4)12(10)16-13;/h5-7,16H,8-9H2,1-4H3;1H
InChIKeyWVLCUUBTGKBACQ-UHFFFAOYSA-N
XLogP-1.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[2-[(dimethylamino)methyl]phenyl]methyl]phenyl]-N,N-dimethylmethanamine
CID 167700248
1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine
CID 11832995
1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine
CID 86030016
1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine
CID 14459148
1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine
CID 135395590
N,N-dimethyl-1-(2-trichlorosilylphenyl)methanamine
CID 15371807
3-[(dimethylamino)methyl]-2-iodophenol
CID 135394008
CID 138974220
CID 138974220
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,N-dimethylaniline
CID 174458688
1-[2-[chloro(methyl)silyl]phenyl]-N,N-dimethylmethanamine
CID 137331040
hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide)
CID 139241421

Frequently Asked Questions

What is the IUPAC name of [2,6-bis[(dimethylamino)methyl]phenyl]-chlorophosphanium chloride?
The IUPAC name of [2,6-bis[(dimethylamino)methyl]phenyl]-chlorophosphanium chloride (CID 16687657) is [2,6-bis[(dimethylamino)methyl]phenyl]-chlorophosphanium chloride.
What is the SMILES notation for [2,6-bis[(dimethylamino)methyl]phenyl]-chlorophosphanium chloride?
The canonical SMILES for [2,6-bis[(dimethylamino)methyl]phenyl]-chlorophosphanium chloride is CN(C)Cc1cccc(CN(C)C)c1[PH2+]Cl.[Cl-].
What is the InChIKey of [2,6-bis[(dimethylamino)methyl]phenyl]-chlorophosphanium chloride?
The InChIKey is WVLCUUBTGKBACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN2P.ClH/c1-14(2)8-10-6-5-7-11(9-15(3)4)12(10)16-13;/h5-7,16H,8-9H2,1-4H3;1H.
What are the key properties of [2,6-bis[(dimethylamino)methyl]phenyl]-chlorophosphanium chloride?
[2,6-bis[(dimethylamino)methyl]phenyl]-chlorophosphanium chloride has a molecular weight of 295.19 g/mol, XLogP of -1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis[(dimethylamino)methyl]phenyl]-chlorophosphanium chloride is sourced from PubChem (CID 16687657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).