O-[cyclopropyl-(3-methylphenyl)methyl]hydroxylamine

C11H15NO — CID 143610202

IUPACO-[cyclopropyl-(3-methylphenyl)methyl]hydroxylamine
SMILESCc1cccc(C(ON)C2CC2)c1
InChIInChI=1S/C11H15NO/c1-8-3-2-4-10(7-8)11(13-12)9-5-6-9/h2-4,7,9,11H,5-6,12H2,1H3
InChIKeySLYARVCQLJAKHZ-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.34
Rot. Bonds3

About O-[cyclopropyl-(3-methylphenyl)methyl]hydroxylamine

O-[cyclopropyl-(3-methylphenyl)methyl]hydroxylamine (PubChem CID 143610202) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is O-[cyclopropyl-(3-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[cyclopropyl-(3-methylphenyl)methyl]hydroxylamine
PubChem CID143610202
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameO-[cyclopropyl-(3-methylphenyl)methyl]hydroxylamine
SMILESCc1cccc(C(ON)C2CC2)c1
InChIInChI=1S/C11H15NO/c1-8-3-2-4-10(7-8)11(13-12)9-5-6-9/h2-4,7,9,11H,5-6,12H2,1H3
InChIKeySLYARVCQLJAKHZ-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.34
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

O-[cyclopropyl(phenyl)methyl]hydroxylamine;hydrochloride
CID 127038891
(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489
2-cyclopropyl-2-(3-methylphenyl)ethanol
CID 104819581
2-aminooxy-2-(3-methylphenyl)ethanol
CID 105433392
(3-ethylcyclopentyl)-(3-methylphenyl)methanamine
CID 65410214
N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81364403
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine
CID 116952360
[2-cyclopropyl-1-(3-methylphenyl)ethyl]hydrazine
CID 105200606
2-aminooxy-2-(3-methylphenyl)acetic acid
CID 105439252
3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine
CID 115790226
N'-(1-cyclopropylethyl)-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61309492

Frequently Asked Questions

What is the IUPAC name of O-[cyclopropyl-(3-methylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[cyclopropyl-(3-methylphenyl)methyl]hydroxylamine (CID 143610202) is O-[cyclopropyl-(3-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[cyclopropyl-(3-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[cyclopropyl-(3-methylphenyl)methyl]hydroxylamine is Cc1cccc(C(ON)C2CC2)c1.
What is the InChIKey of O-[cyclopropyl-(3-methylphenyl)methyl]hydroxylamine?
The InChIKey is SLYARVCQLJAKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-3-2-4-10(7-8)11(13-12)9-5-6-9/h2-4,7,9,11H,5-6,12H2,1H3.
What are the key properties of O-[cyclopropyl-(3-methylphenyl)methyl]hydroxylamine?
O-[cyclopropyl-(3-methylphenyl)methyl]hydroxylamine has a molecular weight of 177.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[cyclopropyl-(3-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 143610202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).