[5-(2-phenylethyl)oxolan-2-yl]methanamine

C13H19NO — CID 11506691

IUPAC[5-(2-phenylethyl)oxolan-2-yl]methanamine
SMILESNCC1CCC(CCc2ccccc2)O1
InChIInChI=1S/C13H19NO/c14-10-13-9-8-12(15-13)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10,14H2
InChIKeyLKTJWDXCFJJUGY-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.13
Rot. Bonds4

About [5-(2-phenylethyl)oxolan-2-yl]methanamine

[5-(2-phenylethyl)oxolan-2-yl]methanamine (PubChem CID 11506691) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [5-(2-phenylethyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-phenylethyl)oxolan-2-yl]methanamine
PubChem CID11506691
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[5-(2-phenylethyl)oxolan-2-yl]methanamine
SMILESNCC1CCC(CCc2ccccc2)O1
InChIInChI=1S/C13H19NO/c14-10-13-9-8-12(15-13)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10,14H2
InChIKeyLKTJWDXCFJJUGY-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(2-phenylethyl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(2-phenylethyl)oxolan-2-yl]methanamine (CID 11506691) is [5-(2-phenylethyl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(2-phenylethyl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(2-phenylethyl)oxolan-2-yl]methanamine is NCC1CCC(CCc2ccccc2)O1.
What is the InChIKey of [5-(2-phenylethyl)oxolan-2-yl]methanamine?
The InChIKey is LKTJWDXCFJJUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c14-10-13-9-8-12(15-13)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10,14H2.
What are the key properties of [5-(2-phenylethyl)oxolan-2-yl]methanamine?
[5-(2-phenylethyl)oxolan-2-yl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-phenylethyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 11506691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).