3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine

C14H21NO2 — CID 117237829

IUPAC3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine
SMILESCc1cccc(OCC(CN)C2CCOC2)c1
InChIInChI=1S/C14H21NO2/c1-11-3-2-4-14(7-11)17-10-13(8-15)12-5-6-16-9-12/h2-4,7,12-13H,5-6,8-10,15H2,1H3
InChIKeyYEQGIMDTDXZCHR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.99
Rot. Bonds5

About 3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine

3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine (PubChem CID 117237829) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine
PubChem CID117237829
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine
SMILESCc1cccc(OCC(CN)C2CCOC2)c1
InChIInChI=1S/C14H21NO2/c1-11-3-2-4-14(7-11)17-10-13(8-15)12-5-6-16-9-12/h2-4,7,12-13H,5-6,8-10,15H2,1H3
InChIKeyYEQGIMDTDXZCHR-UHFFFAOYSA-N
XLogP1.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753502
3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine
CID 117239353
2-[3-amino-2-(oxolan-3-yl)propoxy]phenol
CID 117237737
2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449272
(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine
CID 93237376
(3-methylphenyl)-(oxolan-3-yl)methanamine
CID 63564750
3-(3-amino-2-cyclohexylpropoxy)phenol
CID 117245987
1-cyclobutyl-2-(3-methylphenoxy)ethanol
CID 117245576
[2-(3-chlorophenoxy)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105306470
2-cyclobutyl-3-(3-methylphenoxy)propanoic acid
CID 117245719
2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238779
3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol
CID 117237928

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine?
The IUPAC name of 3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine (CID 117237829) is 3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine?
The canonical SMILES for 3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine is Cc1cccc(OCC(CN)C2CCOC2)c1.
What is the InChIKey of 3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine?
The InChIKey is YEQGIMDTDXZCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-3-2-4-14(7-11)17-10-13(8-15)12-5-6-16-9-12/h2-4,7,12-13H,5-6,8-10,15H2,1H3.
What are the key properties of 3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine?
3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine is sourced from PubChem (CID 117237829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).