N'-[2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N,N-dimethylmethanimidamide

C18H21Cl2N3O2 — CID 13059653

IUPACN'-[2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N,N-dimethylmethanimidamide
SMILESCOc1cc(CNc2cc(Cl)c(/N=C/N(C)C)c(Cl)c2)cc(OC)c1
InChIInChI=1S/C18H21Cl2N3O2/c1-23(2)11-22-18-16(19)7-13(8-17(18)20)21-10-12-5-14(24-3)9-15(6-12)25-4/h5-9,11,21H,10H2,1-4H3/b22-11+
InChIKeyVLBHILHYDXRVMA-SSDVNMTOSA-N
MW382.29 g/mol
LogP4.84
Rot. Bonds7

About N'-[2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N,N-dimethylmethanimidamide

N'-[2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N,N-dimethylmethanimidamide (PubChem CID 13059653) has the molecular formula C18H21Cl2N3O2 and a molecular weight of 382.29 g/mol. Its IUPAC name is N'-[2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N,N-dimethylmethanimidamide
PubChem CID13059653
Molecular FormulaC18H21Cl2N3O2
Molecular Weight382.29 g/mol
Exact Mass381.10
IUPAC NameN'-[2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N,N-dimethylmethanimidamide
SMILESCOc1cc(CNc2cc(Cl)c(/N=C/N(C)C)c(Cl)c2)cc(OC)c1
InChIInChI=1S/C18H21Cl2N3O2/c1-23(2)11-22-18-16(19)7-13(8-17(18)20)21-10-12-5-14(24-3)9-15(6-12)25-4/h5-9,11,21H,10H2,1-4H3/b22-11+
InChIKeyVLBHILHYDXRVMA-SSDVNMTOSA-N
XLogP4.84
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N,N-dimethylmethanimidamide (CID 13059653) is N'-[2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N,N-dimethylmethanimidamide is COc1cc(CNc2cc(Cl)c(/N=C/N(C)C)c(Cl)c2)cc(OC)c1.
What is the InChIKey of N'-[2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N,N-dimethylmethanimidamide?
The InChIKey is VLBHILHYDXRVMA-SSDVNMTOSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2/c1-23(2)11-22-18-16(19)7-13(8-17(18)20)21-10-12-5-14(24-3)9-15(6-12)25-4/h5-9,11,21H,10H2,1-4H3/b22-11+.
What are the key properties of N'-[2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N,N-dimethylmethanimidamide?
N'-[2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N,N-dimethylmethanimidamide has a molecular weight of 382.29 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-dichloro-4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 13059653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).