diaminomethylidene-[(2,4-dichlorophenyl)methyl]azanium

C8H10Cl2N3+ — CID 6999882

IUPACdiaminomethylidene-[(2,4-dichlorophenyl)methyl]azanium
SMILESNC(N)=[NH+]Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2N3/c9-6-2-1-5(7(10)3-6)4-13-8(11)12/h1-3H,4H2,(H4,11,12,13)/p+1
InChIKeyMIZQCZHCPNSFBI-UHFFFAOYSA-O
MW219.10 g/mol
LogP-0.15
Rot. Bonds2

About diaminomethylidene-[(2,4-dichlorophenyl)methyl]azanium

diaminomethylidene-[(2,4-dichlorophenyl)methyl]azanium (PubChem CID 6999882) has the molecular formula C8H10Cl2N3+ and a molecular weight of 219.10 g/mol. Its IUPAC name is diaminomethylidene-[(2,4-dichlorophenyl)methyl]azanium.

Molecular Properties

Compound Namediaminomethylidene-[(2,4-dichlorophenyl)methyl]azanium
PubChem CID6999882
Molecular FormulaC8H10Cl2N3+
Molecular Weight219.10 g/mol
Exact Mass218.02
IUPAC Namediaminomethylidene-[(2,4-dichlorophenyl)methyl]azanium
SMILESNC(N)=[NH+]Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2N3/c9-6-2-1-5(7(10)3-6)4-13-8(11)12/h1-3H,4H2,(H4,11,12,13)/p+1
InChIKeyMIZQCZHCPNSFBI-UHFFFAOYSA-O
XLogP-0.15
TPSA66.01 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

dideuterio-(2,4-dichlorophenyl)methanol
CID 71751981
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
(2,4-dichlorophenyl)methylphosphane
CID 134447961
(2,4-dichlorophenyl)methylthiourea;hydrochloride
CID 46736571
2-chloro-3-(2,4-dichlorophenyl)propanamide
CID 82054649
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
3-[(2,4-dichlorophenyl)methoxy]-4-methoxybenzenecarbothioamide
CID 20991411
1-but-2-enyl-2,4-dichlorobenzene
CID 70272980
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
(2,4-dichlorophenyl)methyl carbamimidothioate;hydrochloride
CID 12526767

Frequently Asked Questions

What is the IUPAC name of diaminomethylidene-[(2,4-dichlorophenyl)methyl]azanium?
The IUPAC name of diaminomethylidene-[(2,4-dichlorophenyl)methyl]azanium (CID 6999882) is diaminomethylidene-[(2,4-dichlorophenyl)methyl]azanium.
What is the SMILES notation for diaminomethylidene-[(2,4-dichlorophenyl)methyl]azanium?
The canonical SMILES for diaminomethylidene-[(2,4-dichlorophenyl)methyl]azanium is NC(N)=[NH+]Cc1ccc(Cl)cc1Cl.
What is the InChIKey of diaminomethylidene-[(2,4-dichlorophenyl)methyl]azanium?
The InChIKey is MIZQCZHCPNSFBI-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9Cl2N3/c9-6-2-1-5(7(10)3-6)4-13-8(11)12/h1-3H,4H2,(H4,11,12,13)/p+1.
What are the key properties of diaminomethylidene-[(2,4-dichlorophenyl)methyl]azanium?
diaminomethylidene-[(2,4-dichlorophenyl)methyl]azanium has a molecular weight of 219.10 g/mol, XLogP of -0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[(2,4-dichlorophenyl)methyl]azanium is sourced from PubChem (CID 6999882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).