1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine

C14H21NO2 — CID 61287973

IUPAC1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine
SMILESCc1ccc(C(N)COC2CCOCC2)cc1
InChIInChI=1S/C14H21NO2/c1-11-2-4-12(5-3-11)14(15)10-17-13-6-8-16-9-7-13/h2-5,13-14H,6-10,15H2,1H3
InChIKeyAIEZWCVRQSRKBW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.19
Rot. Bonds4

About 1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine

1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine (PubChem CID 61287973) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine
PubChem CID61287973
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine
SMILESCc1ccc(C(N)COC2CCOCC2)cc1
InChIInChI=1S/C14H21NO2/c1-11-2-4-12(5-3-11)14(15)10-17-13-6-8-16-9-7-13/h2-5,13-14H,6-10,15H2,1H3
InChIKeyAIEZWCVRQSRKBW-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine?
The IUPAC name of 1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine (CID 61287973) is 1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine.
What is the SMILES notation for 1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine?
The canonical SMILES for 1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine is Cc1ccc(C(N)COC2CCOCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine?
The InChIKey is AIEZWCVRQSRKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-2-4-12(5-3-11)14(15)10-17-13-6-8-16-9-7-13/h2-5,13-14H,6-10,15H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine?
1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine is sourced from PubChem (CID 61287973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).