1-(phenylmethoxymethyl)cyclopropan-1-amine

C11H15NO — CID 10954072

IUPAC1-(phenylmethoxymethyl)cyclopropan-1-amine
SMILESNC1(COCc2ccccc2)CC1
InChIInChI=1S/C11H15NO/c12-11(6-7-11)9-13-8-10-4-2-1-3-5-10/h1-5H,6-9,12H2
InChIKeyOPUYSIGSHRNDFE-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.69
Rot. Bonds4

About 1-(phenylmethoxymethyl)cyclopropan-1-amine

1-(phenylmethoxymethyl)cyclopropan-1-amine (PubChem CID 10954072) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(phenylmethoxymethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(phenylmethoxymethyl)cyclopropan-1-amine
PubChem CID10954072
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(phenylmethoxymethyl)cyclopropan-1-amine
SMILESNC1(COCc2ccccc2)CC1
InChIInChI=1S/C11H15NO/c12-11(6-7-11)9-13-8-10-4-2-1-3-5-10/h1-5H,6-9,12H2
InChIKeyOPUYSIGSHRNDFE-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(phenylmethoxymethyl)cyclopropan-1-amine?
The IUPAC name of 1-(phenylmethoxymethyl)cyclopropan-1-amine (CID 10954072) is 1-(phenylmethoxymethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(phenylmethoxymethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(phenylmethoxymethyl)cyclopropan-1-amine is NC1(COCc2ccccc2)CC1.
What is the InChIKey of 1-(phenylmethoxymethyl)cyclopropan-1-amine?
The InChIKey is OPUYSIGSHRNDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-11(6-7-11)9-13-8-10-4-2-1-3-5-10/h1-5H,6-9,12H2.
What are the key properties of 1-(phenylmethoxymethyl)cyclopropan-1-amine?
1-(phenylmethoxymethyl)cyclopropan-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylmethoxymethyl)cyclopropan-1-amine is sourced from PubChem (CID 10954072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).