[1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine

C13H18BrClN2O — CID 105314342

IUPAC[1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
SMILESNNC(CCC1CCCO1)c1cccc(Br)c1Cl
InChIInChI=1S/C13H18BrClN2O/c14-11-5-1-4-10(13(11)15)12(17-16)7-6-9-3-2-8-18-9/h1,4-5,9,12,17H,2-3,6-8,16H2
InChIKeyQNJHISKRCPOTQP-UHFFFAOYSA-N
MW333.66 g/mol
LogP3.57
Rot. Bonds5

About [1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine

[1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine (PubChem CID 105314342) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is [1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
PubChem CID105314342
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC Name[1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
SMILESNNC(CCC1CCCO1)c1cccc(Br)c1Cl
InChIInChI=1S/C13H18BrClN2O/c14-11-5-1-4-10(13(11)15)12(17-16)7-6-9-3-2-8-18-9/h1,4-5,9,12,17H,2-3,6-8,16H2
InChIKeyQNJHISKRCPOTQP-UHFFFAOYSA-N
XLogP3.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 53.57
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-2-chlorophenyl)-3-cyclopropylpropyl]hydrazine
CID 105315169
[1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314283
[1-(2-methylsulfanylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314298
[1-(2,5-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105302010
[1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314231
2-[3-(2-bromophenyl)-4-chlorobutyl]oxolane
CID 79454250
[1-(3-bromothiophen-2-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314337
[1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314404
[1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314004
[1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105253010
[3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105304775
[1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105269010

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine?
The IUPAC name of [1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine (CID 105314342) is [1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine?
The canonical SMILES for [1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine is NNC(CCC1CCCO1)c1cccc(Br)c1Cl.
What is the InChIKey of [1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine?
The InChIKey is QNJHISKRCPOTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O/c14-11-5-1-4-10(13(11)15)12(17-16)7-6-9-3-2-8-18-9/h1,4-5,9,12,17H,2-3,6-8,16H2.
What are the key properties of [1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine?
[1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine has a molecular weight of 333.66 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine is sourced from PubChem (CID 105314342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).