3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine

C14H21NO2 — CID 65445668

IUPAC3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine
SMILESCOc1ccc(CCC2(N)CCCOC2)cc1
InChIInChI=1S/C14H21NO2/c1-16-13-5-3-12(4-6-13)7-9-14(15)8-2-10-17-11-14/h3-6H,2,7-11,15H2,1H3
InChIKeyZXMDMYXHFPBPKL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds4

About 3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine

3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine (PubChem CID 65445668) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine
PubChem CID65445668
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine
SMILESCOc1ccc(CCC2(N)CCCOC2)cc1
InChIInChI=1S/C14H21NO2/c1-16-13-5-3-12(4-6-13)7-9-14(15)8-2-10-17-11-14/h3-6H,2,7-11,15H2,1H3
InChIKeyZXMDMYXHFPBPKL-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine (CID 65445668) is 3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine is COc1ccc(CCC2(N)CCCOC2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine?
The InChIKey is ZXMDMYXHFPBPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-13-5-3-12(4-6-13)7-9-14(15)8-2-10-17-11-14/h3-6H,2,7-11,15H2,1H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine?
3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine has a molecular weight of 235.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine is sourced from PubChem (CID 65445668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).