[(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine

C12H17BrN2O — CID 105197946

IUPAC[(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine
SMILESNNC(c1cccc(Br)c1)C1CCOCC1
InChIInChI=1S/C12H17BrN2O/c13-11-3-1-2-10(8-11)12(15-14)9-4-6-16-7-5-9/h1-3,8-9,12,15H,4-7,14H2
InChIKeyOLAFUNIPWVRBJE-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.38
Rot. Bonds3

About [(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine

[(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine (PubChem CID 105197946) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is [(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine
PubChem CID105197946
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name[(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine
SMILESNNC(c1cccc(Br)c1)C1CCOCC1
InChIInChI=1S/C12H17BrN2O/c13-11-3-1-2-10(8-11)12(15-14)9-4-6-16-7-5-9/h1-3,8-9,12,15H,4-7,14H2
InChIKeyOLAFUNIPWVRBJE-UHFFFAOYSA-N
XLogP2.38
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.38
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

(3-bromophenyl)-(oxan-4-yl)methanamine
CID 63934860
[(3-bromophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105197926
[(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105197058
[2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine
CID 105238338
[cyclopropyl(phenyl)methyl]hydrazine
CID 53403097
N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine
CID 79442605
[(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine
CID 107139831
[1-(3-bromophenyl)-2-cyclohexylethyl]hydrazine
CID 105197948
1-(3-iodophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115855997
[(7-chloro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine
CID 105229716
[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193820
(3-bromophenyl)-cyclopropylmethanamine;hydrochloride
CID 166600425

Frequently Asked Questions

What is the IUPAC name of [(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine?
The IUPAC name of [(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine (CID 105197946) is [(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine is NNC(c1cccc(Br)c1)C1CCOCC1.
What is the InChIKey of [(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine?
The InChIKey is OLAFUNIPWVRBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-11-3-1-2-10(8-11)12(15-14)9-4-6-16-7-5-9/h1-3,8-9,12,15H,4-7,14H2.
What are the key properties of [(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine?
[(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine has a molecular weight of 285.19 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105197946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).