N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide

C18H22Cl2N4 — CID 13402063

IUPACN'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1c(Cl)cc(NCc2ccc(N(C)C)cc2)cc1Cl
InChIInChI=1S/C18H22Cl2N4/c1-23(2)12-22-18-16(19)9-14(10-17(18)20)21-11-13-5-7-15(8-6-13)24(3)4/h5-10,12,21H,11H2,1-4H3/b22-12+
InChIKeySFEJSZQNMQAIDU-WSDLNYQXSA-N
MW365.31 g/mol
LogP4.89
Rot. Bonds6

About N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide

N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide (PubChem CID 13402063) has the molecular formula C18H22Cl2N4 and a molecular weight of 365.31 g/mol. Its IUPAC name is N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide
PubChem CID13402063
Molecular FormulaC18H22Cl2N4
Molecular Weight365.31 g/mol
Exact Mass364.12
IUPAC NameN'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1c(Cl)cc(NCc2ccc(N(C)C)cc2)cc1Cl
InChIInChI=1S/C18H22Cl2N4/c1-23(2)12-22-18-16(19)9-14(10-17(18)20)21-11-13-5-7-15(8-6-13)24(3)4/h5-10,12,21H,11H2,1-4H3/b22-12+
InChIKeySFEJSZQNMQAIDU-WSDLNYQXSA-N
XLogP4.89
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide (CID 13402063) is N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1c(Cl)cc(NCc2ccc(N(C)C)cc2)cc1Cl.
What is the InChIKey of N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide?
The InChIKey is SFEJSZQNMQAIDU-WSDLNYQXSA-N. The full InChI is InChI=1S/C18H22Cl2N4/c1-23(2)12-22-18-16(19)9-14(10-17(18)20)21-11-13-5-7-15(8-6-13)24(3)4/h5-10,12,21H,11H2,1-4H3/b22-12+.
What are the key properties of N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide?
N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide has a molecular weight of 365.31 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 13402063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).