[(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine

C16H19BrN2O — CID 107139831

IUPAC[(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine
SMILESNNC(c1ccc2cc(Br)ccc2c1)C1CCCOC1
InChIInChI=1S/C16H19BrN2O/c17-15-6-5-11-8-13(4-3-12(11)9-15)16(19-18)14-2-1-7-20-10-14/h3-6,8-9,14,16,19H,1-2,7,10,18H2
InChIKeyUMTNFNXLWKEKBD-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.53
Rot. Bonds3

About [(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine

[(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine (PubChem CID 107139831) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is [(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine
PubChem CID107139831
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name[(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine
SMILESNNC(c1ccc2cc(Br)ccc2c1)C1CCCOC1
InChIInChI=1S/C16H19BrN2O/c17-15-6-5-11-8-13(4-3-12(11)9-15)16(19-18)14-2-1-7-20-10-14/h3-6,8-9,14,16,19H,1-2,7,10,18H2
InChIKeyUMTNFNXLWKEKBD-UHFFFAOYSA-N
XLogP3.53
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.53
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

[(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139773
[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139910
[(6-bromonaphthalen-2-yl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105311881
[[4-fluoro-3-(trifluoromethyl)phenyl]-(oxan-3-yl)methyl]hydrazine
CID 107139797
(6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol
CID 115798116
N-[naphthalen-2-yl(oxan-3-yl)methyl]propan-1-amine
CID 65332373
[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine
CID 105229478
(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
[(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105197946
[2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine
CID 105229943
[(5-fluoro-1-benzofuran-2-yl)-(oxan-3-yl)methyl]hydrazine
CID 105230132
[(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine
CID 105229979

Frequently Asked Questions

What is the IUPAC name of [(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine?
The IUPAC name of [(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine (CID 107139831) is [(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine.
What is the SMILES notation for [(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine?
The canonical SMILES for [(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine is NNC(c1ccc2cc(Br)ccc2c1)C1CCCOC1.
What is the InChIKey of [(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine?
The InChIKey is UMTNFNXLWKEKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c17-15-6-5-11-8-13(4-3-12(11)9-15)16(19-18)14-2-1-7-20-10-14/h3-6,8-9,14,16,19H,1-2,7,10,18H2.
What are the key properties of [(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine?
[(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine has a molecular weight of 335.25 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine is sourced from PubChem (CID 107139831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).