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

C19H22Cl2N4 — CID 13064606

IUPACN'-[2,6-dichloro-4-[[4-(dimethylamino)-2-methylphenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide
SMILESCc1cc(N(C)C)ccc1/C=N/c1cc(Cl)c(/N=C/N(C)C)c(Cl)c1
InChIInChI=1S/C19H22Cl2N4/c1-13-8-16(25(4)5)7-6-14(13)11-22-15-9-17(20)19(18(21)10-15)23-12-24(2)3/h6-12H,1-5H3/b22-11+,23-12+
InChIKeyLAUYXAKIXJVSGF-LCHFAGMQSA-N
MW377.32 g/mol
LogP5.34
Rot. Bonds5

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

N'-[2,6-dichloro-4-[[4-(dimethylamino)-2-methylphenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide (PubChem CID 13064606) has the molecular formula C19H22Cl2N4 and a molecular weight of 377.32 g/mol. Its IUPAC name is N'-[2,6-dichloro-4-[[4-(dimethylamino)-2-methylphenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[2,6-dichloro-4-[[4-(dimethylamino)-2-methylphenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide
PubChem CID13064606
Molecular FormulaC19H22Cl2N4
Molecular Weight377.32 g/mol
Exact Mass376.12
IUPAC NameN'-[2,6-dichloro-4-[[4-(dimethylamino)-2-methylphenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide
SMILESCc1cc(N(C)C)ccc1/C=N/c1cc(Cl)c(/N=C/N(C)C)c(Cl)c1
InChIInChI=1S/C19H22Cl2N4/c1-13-8-16(25(4)5)7-6-14(13)11-22-15-9-17(20)19(18(21)10-15)23-12-24(2)3/h6-12H,1-5H3/b22-11+,23-12+
InChIKeyLAUYXAKIXJVSGF-LCHFAGMQSA-N
XLogP5.34
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[4-(dimethylamino)-2-methylphenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[2,6-dichloro-4-[[4-(dimethylamino)-2-methylphenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide (CID 13064606) is N'-[2,6-dichloro-4-[[4-(dimethylamino)-2-methylphenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[2,6-dichloro-4-[[4-(dimethylamino)-2-methylphenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[2,6-dichloro-4-[[4-(dimethylamino)-2-methylphenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide is Cc1cc(N(C)C)ccc1/C=N/c1cc(Cl)c(/N=C/N(C)C)c(Cl)c1.
What is the InChIKey of N'-[2,6-dichloro-4-[[4-(dimethylamino)-2-methylphenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide?
The InChIKey is LAUYXAKIXJVSGF-LCHFAGMQSA-N. The full InChI is InChI=1S/C19H22Cl2N4/c1-13-8-16(25(4)5)7-6-14(13)11-22-15-9-17(20)19(18(21)10-15)23-12-24(2)3/h6-12H,1-5H3/b22-11+,23-12+.
What are the key properties of N'-[2,6-dichloro-4-[[4-(dimethylamino)-2-methylphenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide?
N'-[2,6-dichloro-4-[[4-(dimethylamino)-2-methylphenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide has a molecular weight of 377.32 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-dichloro-4-[[4-(dimethylamino)-2-methylphenyl]methylideneamino]phenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 13064606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).