2-chloro-N'-(2-dimethylphosphanyl-3-methylphenyl)-3-iminopropanimidamide

C12H17ClN3P — CID 123778902

IUPAC2-chloro-N'-(2-dimethylphosphanyl-3-methylphenyl)-3-iminopropanimidamide
SMILES[H]/N=C/C(Cl)/C(N)=N/c1cccc(C)c1P(C)C
InChIInChI=1S/C12H17ClN3P/c1-8-5-4-6-10(11(8)17(2)3)16-12(15)9(13)7-14/h4-7,9,14H,1-3H3,(H2,15,16)/b14-7+
InChIKeyYMQLONUUIXVVCN-VGOFMYFVSA-N
MW269.72 g/mol
LogP2.61
Rot. Bonds4

About 2-chloro-N'-(2-dimethylphosphanyl-3-methylphenyl)-3-iminopropanimidamide

2-chloro-N'-(2-dimethylphosphanyl-3-methylphenyl)-3-iminopropanimidamide (PubChem CID 123778902) has the molecular formula C12H17ClN3P and a molecular weight of 269.72 g/mol. Its IUPAC name is 2-chloro-N'-(2-dimethylphosphanyl-3-methylphenyl)-3-iminopropanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2-dimethylphosphanyl-3-methylphenyl)-3-iminopropanimidamide
PubChem CID123778902
Molecular FormulaC12H17ClN3P
Molecular Weight269.72 g/mol
Exact Mass269.08
IUPAC Name2-chloro-N'-(2-dimethylphosphanyl-3-methylphenyl)-3-iminopropanimidamide
SMILES[H]/N=C/C(Cl)/C(N)=N/c1cccc(C)c1P(C)C
InChIInChI=1S/C12H17ClN3P/c1-8-5-4-6-10(11(8)17(2)3)16-12(15)9(13)7-14/h4-7,9,14H,1-3H3,(H2,15,16)/b14-7+
InChIKeyYMQLONUUIXVVCN-VGOFMYFVSA-N
XLogP2.61
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.72
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide
CID 123499429
N'-(2-chloro-3-methylphenyl)-2-methylpropanimidamide
CID 130496080
2-methanimidoyl-1-N',3-N'-diphenylpropanediimidamide
CID 123822499
2-(2-chloro-3-methylphenyl)guanidine
CID 126455748
1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine
CID 175773289
1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine
CID 2730206
(Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine
CID 163243515
N'-(3-aminophenyl)-3-imino-2-methylsulfanylpropanimidamide
CID 123958064
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;isocyanic acid
CID 176527766
N'-(2,3-dimethylphenyl)carbamimidoyl fluoride
CID 163630481
1-(2,6-dimethylphenyl)-2-iminoethanone
CID 123933516
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2-dimethylphosphanyl-3-methylphenyl)-3-iminopropanimidamide?
The IUPAC name of 2-chloro-N'-(2-dimethylphosphanyl-3-methylphenyl)-3-iminopropanimidamide (CID 123778902) is 2-chloro-N'-(2-dimethylphosphanyl-3-methylphenyl)-3-iminopropanimidamide.
What is the SMILES notation for 2-chloro-N'-(2-dimethylphosphanyl-3-methylphenyl)-3-iminopropanimidamide?
The canonical SMILES for 2-chloro-N'-(2-dimethylphosphanyl-3-methylphenyl)-3-iminopropanimidamide is [H]/N=C/C(Cl)/C(N)=N/c1cccc(C)c1P(C)C.
What is the InChIKey of 2-chloro-N'-(2-dimethylphosphanyl-3-methylphenyl)-3-iminopropanimidamide?
The InChIKey is YMQLONUUIXVVCN-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H17ClN3P/c1-8-5-4-6-10(11(8)17(2)3)16-12(15)9(13)7-14/h4-7,9,14H,1-3H3,(H2,15,16)/b14-7+.
What are the key properties of 2-chloro-N'-(2-dimethylphosphanyl-3-methylphenyl)-3-iminopropanimidamide?
2-chloro-N'-(2-dimethylphosphanyl-3-methylphenyl)-3-iminopropanimidamide has a molecular weight of 269.72 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2-dimethylphosphanyl-3-methylphenyl)-3-iminopropanimidamide is sourced from PubChem (CID 123778902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).