N-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine

C16H16Cl2N2O2 — CID 110839822

IUPACN-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine
SMILESCOc1c(Cl)cc(C=NNCc2ccccc2)c(OC)c1Cl
InChIInChI=1S/C16H16Cl2N2O2/c1-21-15-12(8-13(17)16(22-2)14(15)18)10-20-19-9-11-6-4-3-5-7-11/h3-8,10,19H,9H2,1-2H3
InChIKeyPXWGGEHPOOTTLP-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.13
Rot. Bonds6

About N-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine

N-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine (PubChem CID 110839822) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is N-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine
PubChem CID110839822
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC NameN-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine
SMILESCOc1c(Cl)cc(C=NNCc2ccccc2)c(OC)c1Cl
InChIInChI=1S/C16H16Cl2N2O2/c1-21-15-12(8-13(17)16(22-2)14(15)18)10-20-19-9-11-6-4-3-5-7-11/h3-8,10,19H,9H2,1-2H3
InChIKeyPXWGGEHPOOTTLP-UHFFFAOYSA-N
XLogP4.13
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine
CID 3287826
N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839808
2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 110509287
N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110531999
N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine
CID 134092995
1-phenyl-N-[(2-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110839709
N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515329
N-[(3-chloro-2-methoxy-5-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 86010105
N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
CID 110839719
N-benzyl-N'-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 8900710
N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19059948
N-[(E)-(2,4-dibromo-3-methoxyphenyl)methylideneamino]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 171436867

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine?
The IUPAC name of N-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine (CID 110839822) is N-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine.
What is the SMILES notation for N-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine?
The canonical SMILES for N-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine is COc1c(Cl)cc(C=NNCc2ccccc2)c(OC)c1Cl.
What is the InChIKey of N-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine?
The InChIKey is PXWGGEHPOOTTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-21-15-12(8-13(17)16(22-2)14(15)18)10-20-19-9-11-6-4-3-5-7-11/h3-8,10,19H,9H2,1-2H3.
What are the key properties of N-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine?
N-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine has a molecular weight of 339.22 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine is sourced from PubChem (CID 110839822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).