[2-(3-cyclopropylphenyl)oxan-3-yl]methanamine

C15H21NO — CID 79978587

IUPAC[2-(3-cyclopropylphenyl)oxan-3-yl]methanamine
SMILESNCC1CCCOC1c1cccc(C2CC2)c1
InChIInChI=1S/C15H21NO/c16-10-14-5-2-8-17-15(14)13-4-1-3-12(9-13)11-6-7-11/h1,3-4,9,11,14-15H,2,5-8,10,16H2
InChIKeyWYGAPMVTVIFOHX-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.99
Rot. Bonds3

About [2-(3-cyclopropylphenyl)oxan-3-yl]methanamine

[2-(3-cyclopropylphenyl)oxan-3-yl]methanamine (PubChem CID 79978587) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is [2-(3-cyclopropylphenyl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3-cyclopropylphenyl)oxan-3-yl]methanamine
PubChem CID79978587
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name[2-(3-cyclopropylphenyl)oxan-3-yl]methanamine
SMILESNCC1CCCOC1c1cccc(C2CC2)c1
InChIInChI=1S/C15H21NO/c16-10-14-5-2-8-17-15(14)13-4-1-3-12(9-13)11-6-7-11/h1,3-4,9,11,14-15H,2,5-8,10,16H2
InChIKeyWYGAPMVTVIFOHX-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3-cyclopropylphenyl)oxan-3-yl]methanamine?
The IUPAC name of [2-(3-cyclopropylphenyl)oxan-3-yl]methanamine (CID 79978587) is [2-(3-cyclopropylphenyl)oxan-3-yl]methanamine.
What is the SMILES notation for [2-(3-cyclopropylphenyl)oxan-3-yl]methanamine?
The canonical SMILES for [2-(3-cyclopropylphenyl)oxan-3-yl]methanamine is NCC1CCCOC1c1cccc(C2CC2)c1.
What is the InChIKey of [2-(3-cyclopropylphenyl)oxan-3-yl]methanamine?
The InChIKey is WYGAPMVTVIFOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-10-14-5-2-8-17-15(14)13-4-1-3-12(9-13)11-6-7-11/h1,3-4,9,11,14-15H,2,5-8,10,16H2.
What are the key properties of [2-(3-cyclopropylphenyl)oxan-3-yl]methanamine?
[2-(3-cyclopropylphenyl)oxan-3-yl]methanamine has a molecular weight of 231.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyclopropylphenyl)oxan-3-yl]methanamine is sourced from PubChem (CID 79978587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).