2,4-dimethyl-N-[(2-methylphenyl)methoxy]-1,5-benzodiazepin-3-imine

C19H19N3O — CID 706930

IUPAC2,4-dimethyl-N-[(2-methylphenyl)methoxy]-1,5-benzodiazepin-3-imine
SMILESCc1ccccc1CON=c1c(C)nc2ccccc2nc1C
InChIInChI=1S/C19H19N3O/c1-13-8-4-5-9-16(13)12-23-22-19-14(2)20-17-10-6-7-11-18(17)21-15(19)3/h4-11H,12H2,1-3H3
InChIKeyUMASFZNNTDDTNN-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.59
Rot. Bonds3

About 2,4-dimethyl-N-[(2-methylphenyl)methoxy]-1,5-benzodiazepin-3-imine

2,4-dimethyl-N-[(2-methylphenyl)methoxy]-1,5-benzodiazepin-3-imine (PubChem CID 706930) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(2-methylphenyl)methoxy]-1,5-benzodiazepin-3-imine.

Molecular Properties

Compound Name2,4-dimethyl-N-[(2-methylphenyl)methoxy]-1,5-benzodiazepin-3-imine
PubChem CID706930
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2,4-dimethyl-N-[(2-methylphenyl)methoxy]-1,5-benzodiazepin-3-imine
SMILESCc1ccccc1CON=c1c(C)nc2ccccc2nc1C
InChIInChI=1S/C19H19N3O/c1-13-8-4-5-9-16(13)12-23-22-19-14(2)20-17-10-6-7-11-18(17)21-15(19)3/h4-11H,12H2,1-3H3
InChIKeyUMASFZNNTDDTNN-UHFFFAOYSA-N
XLogP3.59
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[(2-methylphenyl)methoxymethyl]quinoline
CID 132570720
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CID 112787376
ethane;1-(ethoxymethyl)-2-methylbenzene
CID 143583110
4-methyl-2-[(2-methylphenyl)methyl]pyrimidine
CID 21028246
(3-methylquinoxalin-2-yl)methyl 2-methylbenzoate
CID 18079246
ethane;1-methyl-2-(propoxymethyl)benzene
CID 144908346
1-(2-methylphenyl)-N,N-bis(trimethylsilyl)methanamine
CID 13493569
N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine
CID 62049687
3-[(2-methylphenyl)methylsulfanyl]quinoxalin-2-amine
CID 102988934
(3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 18199693
(2-methylphenyl)methoxy-di(propan-2-yl)azanium
CID 173224071

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(2-methylphenyl)methoxy]-1,5-benzodiazepin-3-imine?
The IUPAC name of 2,4-dimethyl-N-[(2-methylphenyl)methoxy]-1,5-benzodiazepin-3-imine (CID 706930) is 2,4-dimethyl-N-[(2-methylphenyl)methoxy]-1,5-benzodiazepin-3-imine.
What is the SMILES notation for 2,4-dimethyl-N-[(2-methylphenyl)methoxy]-1,5-benzodiazepin-3-imine?
The canonical SMILES for 2,4-dimethyl-N-[(2-methylphenyl)methoxy]-1,5-benzodiazepin-3-imine is Cc1ccccc1CON=c1c(C)nc2ccccc2nc1C.
What is the InChIKey of 2,4-dimethyl-N-[(2-methylphenyl)methoxy]-1,5-benzodiazepin-3-imine?
The InChIKey is UMASFZNNTDDTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-8-4-5-9-16(13)12-23-22-19-14(2)20-17-10-6-7-11-18(17)21-15(19)3/h4-11H,12H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[(2-methylphenyl)methoxy]-1,5-benzodiazepin-3-imine?
2,4-dimethyl-N-[(2-methylphenyl)methoxy]-1,5-benzodiazepin-3-imine has a molecular weight of 305.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(2-methylphenyl)methoxy]-1,5-benzodiazepin-3-imine is sourced from PubChem (CID 706930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).