2-[2-amino-4-(2,6-dichlorophenyl)-6-methylphenyl]guanidine

C14H14Cl2N4 — CID 143121597

IUPAC2-[2-amino-4-(2,6-dichlorophenyl)-6-methylphenyl]guanidine
SMILESCc1cc(-c2c(Cl)cccc2Cl)cc(N)c1N=C(N)N
InChIInChI=1S/C14H14Cl2N4/c1-7-5-8(6-11(17)13(7)20-14(18)19)12-9(15)3-2-4-10(12)16/h2-6H,17H2,1H3,(H4,18,19,20)
InChIKeyGTGBUQMACDEHIO-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.46
Rot. Bonds2

About 2-[2-amino-4-(2,6-dichlorophenyl)-6-methylphenyl]guanidine

2-[2-amino-4-(2,6-dichlorophenyl)-6-methylphenyl]guanidine (PubChem CID 143121597) has the molecular formula C14H14Cl2N4 and a molecular weight of 309.20 g/mol. Its IUPAC name is 2-[2-amino-4-(2,6-dichlorophenyl)-6-methylphenyl]guanidine.

Molecular Properties

Compound Name2-[2-amino-4-(2,6-dichlorophenyl)-6-methylphenyl]guanidine
PubChem CID143121597
Molecular FormulaC14H14Cl2N4
Molecular Weight309.20 g/mol
Exact Mass308.06
IUPAC Name2-[2-amino-4-(2,6-dichlorophenyl)-6-methylphenyl]guanidine
SMILESCc1cc(-c2c(Cl)cccc2Cl)cc(N)c1N=C(N)N
InChIInChI=1S/C14H14Cl2N4/c1-7-5-8(6-11(17)13(7)20-14(18)19)12-9(15)3-2-4-10(12)16/h2-6H,17H2,1H3,(H4,18,19,20)
InChIKeyGTGBUQMACDEHIO-UHFFFAOYSA-N
XLogP3.46
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,6-dichlorophenyl)-2-methylaniline
CID 170906772
7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-amine
CID 24822757
2-(2-chloro-4,6-dimethylphenyl)guanidine
CID 57071675
1,3,5-tris(2,6-dichlorophenyl)benzene
CID 134437988
2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine
CID 59227527
2-(2,6-dimethylphenyl)guanidine chloride
CID 20543534
2-(2-chloro-6-iodophenyl)guanidine
CID 54161142
1-chloro-2-(3-chloro-4-methylphenyl)-3-methylbenzene
CID 66252192
2-(3-chloro-2-methylphenyl)guanidine
CID 45496576
1-chloro-2-(4-fluoro-3-methylphenyl)-3-methylbenzene
CID 66251813
4-(2,6-dimethylphenyl)-2,6-dimethylaniline
CID 155131505
2-[2-amino-4-(2,6-dimethylphenyl)-6-methylphenyl]-1-(4-ethoxycyclohepta-1,3-dien-1-yl)guanidine
CID 143121616

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(2,6-dichlorophenyl)-6-methylphenyl]guanidine?
The IUPAC name of 2-[2-amino-4-(2,6-dichlorophenyl)-6-methylphenyl]guanidine (CID 143121597) is 2-[2-amino-4-(2,6-dichlorophenyl)-6-methylphenyl]guanidine.
What is the SMILES notation for 2-[2-amino-4-(2,6-dichlorophenyl)-6-methylphenyl]guanidine?
The canonical SMILES for 2-[2-amino-4-(2,6-dichlorophenyl)-6-methylphenyl]guanidine is Cc1cc(-c2c(Cl)cccc2Cl)cc(N)c1N=C(N)N.
What is the InChIKey of 2-[2-amino-4-(2,6-dichlorophenyl)-6-methylphenyl]guanidine?
The InChIKey is GTGBUQMACDEHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4/c1-7-5-8(6-11(17)13(7)20-14(18)19)12-9(15)3-2-4-10(12)16/h2-6H,17H2,1H3,(H4,18,19,20).
What are the key properties of 2-[2-amino-4-(2,6-dichlorophenyl)-6-methylphenyl]guanidine?
2-[2-amino-4-(2,6-dichlorophenyl)-6-methylphenyl]guanidine has a molecular weight of 309.20 g/mol, XLogP of 3.46, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(2,6-dichlorophenyl)-6-methylphenyl]guanidine is sourced from PubChem (CID 143121597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).