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

C20H26Cl2N4 — CID 13059662

IUPACN'-[2,6-dichloro-4-[[4-(diethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide
SMILESCCN(CC)c1ccc(CNc2cc(Cl)c(/N=C/N(C)C)c(Cl)c2)cc1
InChIInChI=1S/C20H26Cl2N4/c1-5-26(6-2)17-9-7-15(8-10-17)13-23-16-11-18(21)20(19(22)12-16)24-14-25(3)4/h7-12,14,23H,5-6,13H2,1-4H3/b24-14+
InChIKeyOVYLFFYRXMKTAF-ZVHZXABRSA-N
MW393.36 g/mol
LogP5.67
Rot. Bonds8

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

N'-[2,6-dichloro-4-[[4-(diethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide (PubChem CID 13059662) has the molecular formula C20H26Cl2N4 and a molecular weight of 393.36 g/mol. Its IUPAC name is N'-[2,6-dichloro-4-[[4-(diethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[2,6-dichloro-4-[[4-(diethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide
PubChem CID13059662
Molecular FormulaC20H26Cl2N4
Molecular Weight393.36 g/mol
Exact Mass392.15
IUPAC NameN'-[2,6-dichloro-4-[[4-(diethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide
SMILESCCN(CC)c1ccc(CNc2cc(Cl)c(/N=C/N(C)C)c(Cl)c2)cc1
InChIInChI=1S/C20H26Cl2N4/c1-5-26(6-2)17-9-7-15(8-10-17)13-23-16-11-18(21)20(19(22)12-16)24-14-25(3)4/h7-12,14,23H,5-6,13H2,1-4H3/b24-14+
InChIKeyOVYLFFYRXMKTAF-ZVHZXABRSA-N
XLogP5.67
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.36
LogP ≤ 55.67
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-(diethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[2,6-dichloro-4-[[4-(diethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide (CID 13059662) is N'-[2,6-dichloro-4-[[4-(diethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[2,6-dichloro-4-[[4-(diethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[2,6-dichloro-4-[[4-(diethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide is CCN(CC)c1ccc(CNc2cc(Cl)c(/N=C/N(C)C)c(Cl)c2)cc1.
What is the InChIKey of N'-[2,6-dichloro-4-[[4-(diethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide?
The InChIKey is OVYLFFYRXMKTAF-ZVHZXABRSA-N. The full InChI is InChI=1S/C20H26Cl2N4/c1-5-26(6-2)17-9-7-15(8-10-17)13-23-16-11-18(21)20(19(22)12-16)24-14-25(3)4/h7-12,14,23H,5-6,13H2,1-4H3/b24-14+.
What are the key properties of N'-[2,6-dichloro-4-[[4-(diethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide?
N'-[2,6-dichloro-4-[[4-(diethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide has a molecular weight of 393.36 g/mol, XLogP of 5.67, 8 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-(diethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 13059662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).