[1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine

C18H21BrN2 — CID 105310656

IUPAC[1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
SMILESCc1cc(C(Cc2ccc3c(c2)CCC3)NN)ccc1Br
InChIInChI=1S/C18H21BrN2/c1-12-9-16(7-8-17(12)19)18(21-20)11-13-5-6-14-3-2-4-15(14)10-13/h5-10,18,21H,2-4,11,20H2,1H3
InChIKeyVSUMJJCWSUKQCM-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.99
Rot. Bonds4

About [1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine

[1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine (PubChem CID 105310656) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is [1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
PubChem CID105310656
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name[1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
SMILESCc1cc(C(Cc2ccc3c(c2)CCC3)NN)ccc1Br
InChIInChI=1S/C18H21BrN2/c1-12-9-16(7-8-17(12)19)18(21-20)11-13-5-6-14-3-2-4-15(14)10-13/h5-10,18,21H,2-4,11,20H2,1H3
InChIKeyVSUMJJCWSUKQCM-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115865010
[1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285057
[2-(3,4-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105330384
[1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413062
[1-(4-bromo-3-methylphenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105286334
[2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylphenyl)ethyl]hydrazine
CID 105200358
[2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-3-pyridinyl)ethyl]hydrazine
CID 105310749
[1-(4-bromo-3-methylphenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295298
1-(4-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864881
[2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105324817
1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63507191
[1-(5-bromo-2-chlorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105310671

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine (CID 105310656) is [1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine is Cc1cc(C(Cc2ccc3c(c2)CCC3)NN)ccc1Br.
What is the InChIKey of [1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine?
The InChIKey is VSUMJJCWSUKQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-12-9-16(7-8-17(12)19)18(21-20)11-13-5-6-14-3-2-4-15(14)10-13/h5-10,18,21H,2-4,11,20H2,1H3.
What are the key properties of [1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine?
[1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine has a molecular weight of 345.28 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105310656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).