[(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine

C15H23BrN2O — CID 105208749

IUPAC[(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
SMILESCC1(C)CC(C(NN)c2ccccc2Br)C(C)(C)O1
InChIInChI=1S/C15H23BrN2O/c1-14(2)9-11(15(3,4)19-14)13(18-17)10-7-5-6-8-12(10)16/h5-8,11,13,18H,9,17H2,1-4H3
InChIKeyKFUGBKDFVPVDTQ-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.55
Rot. Bonds3

About [(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine

[(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine (PubChem CID 105208749) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is [(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
PubChem CID105208749
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name[(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
SMILESCC1(C)CC(C(NN)c2ccccc2Br)C(C)(C)O1
InChIInChI=1S/C15H23BrN2O/c1-14(2)9-11(15(3,4)19-14)13(18-17)10-7-5-6-8-12(10)16/h5-8,11,13,18H,9,17H2,1-4H3
InChIKeyKFUGBKDFVPVDTQ-UHFFFAOYSA-N
XLogP3.55
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.55
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

[(2-methylfuran-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105269161
[1-benzothiophen-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105341674
[(2-methoxy-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105341654
[pyrazolo[1,5-a]pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 103129985
(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107953815
N-[(1S)-1-(2-bromophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81383331
[(5-chlorofuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 106694790
[(3-iodophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105341599
[(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105341612
[(3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105191789
N-[(2-bromo-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105053129
1-(4-bromophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622787

Frequently Asked Questions

What is the IUPAC name of [(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
The IUPAC name of [(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine (CID 105208749) is [(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine is CC1(C)CC(C(NN)c2ccccc2Br)C(C)(C)O1.
What is the InChIKey of [(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
The InChIKey is KFUGBKDFVPVDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-14(2)9-11(15(3,4)19-14)13(18-17)10-7-5-6-8-12(10)16/h5-8,11,13,18H,9,17H2,1-4H3.
What are the key properties of [(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine?
[(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine has a molecular weight of 327.27 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105208749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).