N-[3-(2-methyl-1,3-dioxolan-2-yl)-2-phenylpropyl]hydroxylamine

C13H19NO3 — CID 134855151

IUPACN-[3-(2-methyl-1,3-dioxolan-2-yl)-2-phenylpropyl]hydroxylamine
SMILESCC1(CC(CNO)c2ccccc2)OCCO1
InChIInChI=1S/C13H19NO3/c1-13(16-7-8-17-13)9-12(10-14-15)11-5-3-2-4-6-11/h2-6,12,14-15H,7-10H2,1H3
InChIKeyFUFJMRHTXNOPQQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.90
Rot. Bonds5

About N-[3-(2-methyl-1,3-dioxolan-2-yl)-2-phenylpropyl]hydroxylamine

N-[3-(2-methyl-1,3-dioxolan-2-yl)-2-phenylpropyl]hydroxylamine (PubChem CID 134855151) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-dioxolan-2-yl)-2-phenylpropyl]hydroxylamine.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-dioxolan-2-yl)-2-phenylpropyl]hydroxylamine
PubChem CID134855151
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[3-(2-methyl-1,3-dioxolan-2-yl)-2-phenylpropyl]hydroxylamine
SMILESCC1(CC(CNO)c2ccccc2)OCCO1
InChIInChI=1S/C13H19NO3/c1-13(16-7-8-17-13)9-12(10-14-15)11-5-3-2-4-6-11/h2-6,12,14-15H,7-10H2,1H3
InChIKeyFUFJMRHTXNOPQQ-UHFFFAOYSA-N
XLogP1.90
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-dioxolan-2-yl)-2-phenylpropyl]hydroxylamine?
The IUPAC name of N-[3-(2-methyl-1,3-dioxolan-2-yl)-2-phenylpropyl]hydroxylamine (CID 134855151) is N-[3-(2-methyl-1,3-dioxolan-2-yl)-2-phenylpropyl]hydroxylamine.
What is the SMILES notation for N-[3-(2-methyl-1,3-dioxolan-2-yl)-2-phenylpropyl]hydroxylamine?
The canonical SMILES for N-[3-(2-methyl-1,3-dioxolan-2-yl)-2-phenylpropyl]hydroxylamine is CC1(CC(CNO)c2ccccc2)OCCO1.
What is the InChIKey of N-[3-(2-methyl-1,3-dioxolan-2-yl)-2-phenylpropyl]hydroxylamine?
The InChIKey is FUFJMRHTXNOPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(16-7-8-17-13)9-12(10-14-15)11-5-3-2-4-6-11/h2-6,12,14-15H,7-10H2,1H3.
What are the key properties of N-[3-(2-methyl-1,3-dioxolan-2-yl)-2-phenylpropyl]hydroxylamine?
N-[3-(2-methyl-1,3-dioxolan-2-yl)-2-phenylpropyl]hydroxylamine has a molecular weight of 237.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-dioxolan-2-yl)-2-phenylpropyl]hydroxylamine is sourced from PubChem (CID 134855151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).