3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine

C15H23NO2 — CID 117239353

IUPAC3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine
SMILESCc1ccc(OCC(CN)C2CCOCC2)cc1
InChIInChI=1S/C15H23NO2/c1-12-2-4-15(5-3-12)18-11-14(10-16)13-6-8-17-9-7-13/h2-5,13-14H,6-11,16H2,1H3
InChIKeyVLNHKVVEDJXHOB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.38
Rot. Bonds5

About 3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine

3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine (PubChem CID 117239353) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine
PubChem CID117239353
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine
SMILESCc1ccc(OCC(CN)C2CCOCC2)cc1
InChIInChI=1S/C15H23NO2/c1-12-2-4-15(5-3-12)18-11-14(10-16)13-6-8-17-9-7-13/h2-5,13-14H,6-11,16H2,1H3
InChIKeyVLNHKVVEDJXHOB-UHFFFAOYSA-N
XLogP2.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine
CID 117239412
3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine
CID 117237829
2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748364
2-(oxan-4-yl)-3-phenoxypropan-1-ol
CID 117239178
3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine
CID 117239407
1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride
CID 122714533
2-(4-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748475
1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 113448536
3-(4-chlorophenoxy)-2-(thian-4-yl)propan-1-amine
CID 117239379
2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238902
2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 107664229
4-[3-amino-2-(1,1-dioxothian-4-yl)propoxy]phenol
CID 117239371

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine?
The IUPAC name of 3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine (CID 117239353) is 3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine?
The canonical SMILES for 3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine is Cc1ccc(OCC(CN)C2CCOCC2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine?
The InChIKey is VLNHKVVEDJXHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-2-4-15(5-3-12)18-11-14(10-16)13-6-8-17-9-7-13/h2-5,13-14H,6-11,16H2,1H3.
What are the key properties of 3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine?
3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 117239353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).