5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide

C14H20BrN3O2 — CID 63583144

IUPAC5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
SMILESCN(Cc1ccccc1Br)CC1CCC(C(=O)NN)O1
InChIInChI=1S/C14H20BrN3O2/c1-18(8-10-4-2-3-5-12(10)15)9-11-6-7-13(20-11)14(19)17-16/h2-5,11,13H,6-9,16H2,1H3,(H,17,19)
InChIKeyQBFPVLSYBWAYBB-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.42
Rot. Bonds5

About 5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide

5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide (PubChem CID 63583144) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
PubChem CID63583144
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
SMILESCN(Cc1ccccc1Br)CC1CCC(C(=O)NN)O1
InChIInChI=1S/C14H20BrN3O2/c1-18(8-10-4-2-3-5-12(10)15)9-11-6-7-13(20-11)14(19)17-16/h2-5,11,13H,6-9,16H2,1H3,(H,17,19)
InChIKeyQBFPVLSYBWAYBB-UHFFFAOYSA-N
XLogP1.42
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63578254
5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolane-2-carbohydrazide
CID 63571424
5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63583170
(2S,5R)-5-(aminomethyl)-N-[(2-bromophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120785931
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
5-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolane-2-carbohydrazide
CID 55227615
5-[[2-methoxyethyl(methyl)amino]methyl]oxolane-2-carbohydrazide
CID 63577680
2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 115465383
3-[[(2-bromophenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059515
5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide
CID 63937604
2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 62614610
5-[[(4-ethylcyclohexyl)-methylamino]methyl]oxolane-2-carbohydrazide
CID 63578397

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide (CID 63583144) is 5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide is CN(Cc1ccccc1Br)CC1CCC(C(=O)NN)O1.
What is the InChIKey of 5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide?
The InChIKey is QBFPVLSYBWAYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-18(8-10-4-2-3-5-12(10)15)9-11-6-7-13(20-11)14(19)17-16/h2-5,11,13H,6-9,16H2,1H3,(H,17,19).
What are the key properties of 5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide?
5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide has a molecular weight of 342.24 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-bromophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63583144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).