O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine

C12H16BrNO — CID 83693924

IUPACO-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine
SMILESNOCC1(c2cccc(Br)c2)CCCC1
InChIInChI=1S/C12H16BrNO/c13-11-5-3-4-10(8-11)12(9-15-14)6-1-2-7-12/h3-5,8H,1-2,6-7,9,14H2
InChIKeyRMBFHGTVMRJKMJ-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.15
Rot. Bonds3

About O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine

O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine (PubChem CID 83693924) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine
PubChem CID83693924
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameO-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine
SMILESNOCC1(c2cccc(Br)c2)CCCC1
InChIInChI=1S/C12H16BrNO/c13-11-5-3-4-10(8-11)12(9-15-14)6-1-2-7-12/h3-5,8H,1-2,6-7,9,14H2
InChIKeyRMBFHGTVMRJKMJ-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-bromophenyl)cyclopentyl]acetic acid
CID 68971554
[2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine
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1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine
CID 63512242
1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene
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2-[[1-(3-bromophenyl)cyclobutyl]methyl]guanidine
CID 110918036
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CID 62595905
1-bromo-3-[1-(ethylsulfanylmethyl)cyclobutyl]benzene
CID 115052251
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(cyclopropylmethylamino)acetamide
CID 119744818
1-bromo-3-(1-methoxycyclopentyl)benzene
CID 115047484
2-(4-aminophenyl)-N-[[1-(3-bromophenyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119744805
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CID 56805862

Frequently Asked Questions

What is the IUPAC name of O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine?
The IUPAC name of O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine (CID 83693924) is O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine?
The canonical SMILES for O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine is NOCC1(c2cccc(Br)c2)CCCC1.
What is the InChIKey of O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine?
The InChIKey is RMBFHGTVMRJKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-11-5-3-4-10(8-11)12(9-15-14)6-1-2-7-12/h3-5,8H,1-2,6-7,9,14H2.
What are the key properties of O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine?
O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine has a molecular weight of 270.17 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine is sourced from PubChem (CID 83693924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).