N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride

C14H13Cl3N2 — CID 73242933

IUPACN-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride
SMILESCc1ccc(NN=Cc2ccc(Cl)c(Cl)c2)cc1.Cl
InChIInChI=1S/C14H12Cl2N2.ClH/c1-10-2-5-12(6-3-10)18-17-9-11-4-7-13(15)14(16)8-11;/h2-9,18H,1H3;1H
InChIKeyRTTILLOBYSQGLE-UHFFFAOYSA-N
MW315.63 g/mol
LogP5.17
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride

N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride (PubChem CID 73242933) has the molecular formula C14H13Cl3N2 and a molecular weight of 315.63 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride
PubChem CID73242933
Molecular FormulaC14H13Cl3N2
Molecular Weight315.63 g/mol
Exact Mass314.01
IUPAC NameN-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride
SMILESCc1ccc(NN=Cc2ccc(Cl)c(Cl)c2)cc1.Cl
InChIInChI=1S/C14H12Cl2N2.ClH/c1-10-2-5-12(6-3-10)18-17-9-11-4-7-13(15)14(16)8-11;/h2-9,18H,1H3;1H
InChIKeyRTTILLOBYSQGLE-UHFFFAOYSA-N
XLogP5.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.63
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline
CID 110505514
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505520
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 42336469
2,4,6-trichloro-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
CID 6050977
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505513
3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
CID 110840444
1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
N-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]-4-methylaniline
CID 9211300
N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine
CID 3937585
1-[(3,4-dichlorophenyl)methylideneamino]-3-ethylthiourea
CID 2423820
1-[(E)-(3,4-dichlorophenyl)methylideneamino]-3-ethylthiourea
CID 6905153
3,4-dichloro-N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840617

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride?
The IUPAC name of N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride (CID 73242933) is N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride?
The canonical SMILES for N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride is Cc1ccc(NN=Cc2ccc(Cl)c(Cl)c2)cc1.Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride?
The InChIKey is RTTILLOBYSQGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2.ClH/c1-10-2-5-12(6-3-10)18-17-9-11-4-7-13(15)14(16)8-11;/h2-9,18H,1H3;1H.
What are the key properties of N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride?
N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride has a molecular weight of 315.63 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methylideneamino]-4-methylaniline;hydrochloride is sourced from PubChem (CID 73242933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).