(2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium

C23H40Cl2N+ — CID 23276942

IUPAC(2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H40Cl2N/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-26(2,3)20-21-16-17-22(24)19-23(21)25/h16-17,19H,4-15,18,20H2,1-3H3/q+1
InChIKeyZWQRJRCKMMMNDS-UHFFFAOYSA-N
MW401.49 g/mol
LogP8.27
Rot. Bonds15

About (2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium

(2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium (PubChem CID 23276942) has the molecular formula C23H40Cl2N+ and a molecular weight of 401.49 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium
PubChem CID23276942
Molecular FormulaC23H40Cl2N+
Molecular Weight401.49 g/mol
Exact Mass400.25
IUPAC Name(2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium
SMILESCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H40Cl2N/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-26(2,3)20-21-16-17-22(24)19-23(21)25/h16-17,19H,4-15,18,20H2,1-3H3/q+1
InChIKeyZWQRJRCKMMMNDS-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)methyl-dimethyl-octylazanium
CID 23275563
(4-chlorophenyl)methyl-dimethyl-octadecylazanium chloride
CID 71351781
(4-chlorophenyl)methyl-dimethyl-octylazanium chloride
CID 23275562
N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206
N-[(2,4-dichlorophenyl)methyl]decan-1-amine
CID 20562210
(2,4-dichlorophenyl)methyl-dimethyl-prop-2-enylazanium chloride
CID 87988767
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694
2,4-dichloro-1-(2,2-dimethylheptyl)benzene
CID 134535823
tributyl-[(2,4-dichlorophenyl)methyl]phosphanium
CID 8287
decyl-[[2-(hydroxymethyl)phenyl]methyl]-dimethylazanium chloride
CID 141352392
benzyl-dimethyl-octylazanium
CID 13741
N-[(2,4-dichlorophenyl)methyl]heptan-1-amine;oxalic acid
CID 163328902

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium?
The IUPAC name of (2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium (CID 23276942) is (2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium.
What is the SMILES notation for (2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium?
The canonical SMILES for (2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium is CCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium?
The InChIKey is ZWQRJRCKMMMNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40Cl2N/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-26(2,3)20-21-16-17-22(24)19-23(21)25/h16-17,19H,4-15,18,20H2,1-3H3/q+1.
What are the key properties of (2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium?
(2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium has a molecular weight of 401.49 g/mol, XLogP of 8.27, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium is sourced from PubChem (CID 23276942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).