N-(5-bromo-2-nitrosophenyl)oxan-4-amine

C11H13BrN2O2 — CID 170276803

IUPACN-(5-bromo-2-nitrosophenyl)oxan-4-amine
SMILESO=Nc1ccc(Br)cc1NC1CCOCC1
InChIInChI=1S/C11H13BrN2O2/c12-8-1-2-10(14-15)11(7-8)13-9-3-5-16-6-4-9/h1-2,7,9,13H,3-6H2
InChIKeyPTAGYEQCRCPANM-UHFFFAOYSA-N
MW285.14 g/mol
LogP3.44
Rot. Bonds3

About N-(5-bromo-2-nitrosophenyl)oxan-4-amine

N-(5-bromo-2-nitrosophenyl)oxan-4-amine (PubChem CID 170276803) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is N-(5-bromo-2-nitrosophenyl)oxan-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-nitrosophenyl)oxan-4-amine
PubChem CID170276803
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC NameN-(5-bromo-2-nitrosophenyl)oxan-4-amine
SMILESO=Nc1ccc(Br)cc1NC1CCOCC1
InChIInChI=1S/C11H13BrN2O2/c12-8-1-2-10(14-15)11(7-8)13-9-3-5-16-6-4-9/h1-2,7,9,13H,3-6H2
InChIKeyPTAGYEQCRCPANM-UHFFFAOYSA-N
XLogP3.44
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-chlorophenyl)oxepan-4-amine
CID 65079704
N-(2,5-dibromophenyl)oxolan-3-amine
CID 63335357
N-(6-bromonaphthalen-2-yl)oxan-4-amine
CID 81260159
4-bromo-2-(oxolan-3-ylamino)benzoic acid
CID 114907458
N-(3-bromophenyl)oxan-4-amine
CID 43608425
N-(2-bromophenyl)oxan-4-amine;hydrochloride
CID 146049754
6-bromo-4-(oxan-4-ylamino)cinnoline-3-carboxylic acid
CID 138490479
5-bromo-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 43610482
methyl 4-bromo-2-fluoro-6-(oxan-4-ylamino)benzoate
CID 166637637
2,4-dibromo-N-(oxan-4-yl)benzamide
CID 103882568
N-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)piperidin-4-amine
CID 133381141
N-(5-bromo-2-chlorophenyl)cycloheptanamine
CID 63477399

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-nitrosophenyl)oxan-4-amine?
The IUPAC name of N-(5-bromo-2-nitrosophenyl)oxan-4-amine (CID 170276803) is N-(5-bromo-2-nitrosophenyl)oxan-4-amine.
What is the SMILES notation for N-(5-bromo-2-nitrosophenyl)oxan-4-amine?
The canonical SMILES for N-(5-bromo-2-nitrosophenyl)oxan-4-amine is O=Nc1ccc(Br)cc1NC1CCOCC1.
What is the InChIKey of N-(5-bromo-2-nitrosophenyl)oxan-4-amine?
The InChIKey is PTAGYEQCRCPANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-8-1-2-10(14-15)11(7-8)13-9-3-5-16-6-4-9/h1-2,7,9,13H,3-6H2.
What are the key properties of N-(5-bromo-2-nitrosophenyl)oxan-4-amine?
N-(5-bromo-2-nitrosophenyl)oxan-4-amine has a molecular weight of 285.14 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-nitrosophenyl)oxan-4-amine is sourced from PubChem (CID 170276803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).