2-(4-cyclopropylphenyl)oxolan-3-amine

C13H17NO — CID 79978303

IUPAC2-(4-cyclopropylphenyl)oxolan-3-amine
SMILESNC1CCOC1c1ccc(C2CC2)cc1
InChIInChI=1S/C13H17NO/c14-12-7-8-15-13(12)11-5-3-10(4-6-11)9-1-2-9/h3-6,9,12-13H,1-2,7-8,14H2
InChIKeyVMVRRDLEKRXUPS-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.35
Rot. Bonds2

About 2-(4-cyclopropylphenyl)oxolan-3-amine

2-(4-cyclopropylphenyl)oxolan-3-amine (PubChem CID 79978303) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)oxolan-3-amine.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)oxolan-3-amine
PubChem CID79978303
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-(4-cyclopropylphenyl)oxolan-3-amine
SMILESNC1CCOC1c1ccc(C2CC2)cc1
InChIInChI=1S/C13H17NO/c14-12-7-8-15-13(12)11-5-3-10(4-6-11)9-1-2-9/h3-6,9,12-13H,1-2,7-8,14H2
InChIKeyVMVRRDLEKRXUPS-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)oxolan-3-amine?
The IUPAC name of 2-(4-cyclopropylphenyl)oxolan-3-amine (CID 79978303) is 2-(4-cyclopropylphenyl)oxolan-3-amine.
What is the SMILES notation for 2-(4-cyclopropylphenyl)oxolan-3-amine?
The canonical SMILES for 2-(4-cyclopropylphenyl)oxolan-3-amine is NC1CCOC1c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylphenyl)oxolan-3-amine?
The InChIKey is VMVRRDLEKRXUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c14-12-7-8-15-13(12)11-5-3-10(4-6-11)9-1-2-9/h3-6,9,12-13H,1-2,7-8,14H2.
What are the key properties of 2-(4-cyclopropylphenyl)oxolan-3-amine?
2-(4-cyclopropylphenyl)oxolan-3-amine has a molecular weight of 203.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)oxolan-3-amine is sourced from PubChem (CID 79978303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).