[1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine

C15H23BrN2O — CID 105314055

IUPAC[1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
SMILESCc1ccc(C(CCCC2CCCO2)NN)cc1Br
InChIInChI=1S/C15H23BrN2O/c1-11-7-8-12(10-14(11)16)15(18-17)6-2-4-13-5-3-9-19-13/h7-8,10,13,15,18H,2-6,9,17H2,1H3
InChIKeyMXHREAAZRPHKDY-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.61
Rot. Bonds6

About [1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine

[1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine (PubChem CID 105314055) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is [1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
PubChem CID105314055
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name[1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
SMILESCc1ccc(C(CCCC2CCCO2)NN)cc1Br
InChIInChI=1S/C15H23BrN2O/c1-11-7-8-12(10-14(11)16)15(18-17)6-2-4-13-5-3-9-19-13/h7-8,10,13,15,18H,2-6,9,17H2,1H3
InChIKeyMXHREAAZRPHKDY-UHFFFAOYSA-N
XLogP3.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.61
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'}

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Related Compounds

1-(3-bromo-4-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993732
[1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 114023446
1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
[4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105314099
[4-(oxolan-2-yl)-1-quinoxalin-6-ylbutyl]hydrazine
CID 105221924
4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline
CID 105314018
[1-(4-fluoro-3-methoxyphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314077
[1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105222541
[1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314004
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
[1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314129
[4-(oxolan-2-yl)-1-pyrimidin-2-ylbutyl]hydrazine
CID 105203720

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine?
The IUPAC name of [1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine (CID 105314055) is [1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine?
The canonical SMILES for [1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine is Cc1ccc(C(CCCC2CCCO2)NN)cc1Br.
What is the InChIKey of [1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine?
The InChIKey is MXHREAAZRPHKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11-7-8-12(10-14(11)16)15(18-17)6-2-4-13-5-3-9-19-13/h7-8,10,13,15,18H,2-6,9,17H2,1H3.
What are the key properties of [1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine?
[1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine has a molecular weight of 327.27 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-methylphenyl)-4-(oxolan-2-yl)butyl]hydrazine is sourced from PubChem (CID 105314055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).