[3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine

C18H22N2O — CID 105292632

IUPAC[3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine
SMILESCc1ccc(C)c(C(NN)C2OCCc3ccccc32)c1
InChIInChI=1S/C18H22N2O/c1-12-7-8-13(2)16(11-12)17(20-19)18-15-6-4-3-5-14(15)9-10-21-18/h3-8,11,17-18,20H,9-10,19H2,1-2H3
InChIKeyCTJAQUQUJSUULM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.12
Rot. Bonds3

About [3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine

[3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine (PubChem CID 105292632) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine
PubChem CID105292632
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine
SMILESCc1ccc(C)c(C(NN)C2OCCc3ccccc32)c1
InChIInChI=1S/C18H22N2O/c1-12-7-8-13(2)16(11-12)17(20-19)18-15-6-4-3-5-14(15)9-10-21-18/h3-8,11,17-18,20H,9-10,19H2,1-2H3
InChIKeyCTJAQUQUJSUULM-UHFFFAOYSA-N
XLogP3.12
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094435
[(3,5-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methyl]hydrazine
CID 105301905
[3,4-dihydro-1H-isochromen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305603
3,4-dihydro-1H-isochromen-1-yl-(2,4,5-trimethylphenyl)methanamine
CID 105154979
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 107515266
3,4-dihydro-1H-isochromen-1-yl-(3-methylphenyl)methanamine
CID 105090457
[3,4-dihydro-1H-isochromen-1-yl-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105308335
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-1-phenylmethanamine
CID 105083589
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 107516255
[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylpentyl]hydrazine
CID 105294298
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 105109438
1-(3,4-dihydro-1H-isochromen-1-yl)pentylhydrazine
CID 105293861

Frequently Asked Questions

What is the IUPAC name of [3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine?
The IUPAC name of [3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine (CID 105292632) is [3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine?
The canonical SMILES for [3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine is Cc1ccc(C)c(C(NN)C2OCCc3ccccc32)c1.
What is the InChIKey of [3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine?
The InChIKey is CTJAQUQUJSUULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-7-8-13(2)16(11-12)17(20-19)18-15-6-4-3-5-14(15)9-10-21-18/h3-8,11,17-18,20H,9-10,19H2,1-2H3.
What are the key properties of [3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine?
[3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine has a molecular weight of 282.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dihydro-1H-isochromen-1-yl-(2,5-dimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 105292632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).