N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine

C15H23NO2 — CID 102607807

IUPACN-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine
SMILESCCCNCC(OC1COC1)c1ccccc1C
InChIInChI=1S/C15H23NO2/c1-3-8-16-9-15(18-13-10-17-11-13)14-7-5-4-6-12(14)2/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyPWERTCQHZCXHLA-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.45
Rot. Bonds7

About N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine

N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine (PubChem CID 102607807) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine
PubChem CID102607807
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine
SMILESCCCNCC(OC1COC1)c1ccccc1C
InChIInChI=1S/C15H23NO2/c1-3-8-16-9-15(18-13-10-17-11-13)14-7-5-4-6-12(14)2/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyPWERTCQHZCXHLA-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine
CID 102607797
3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane
CID 102607696
N-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine
CID 62106804
N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 106204944
N-[2-(2-chlorophenyl)-2-cyclobutyloxyethyl]propan-1-amine
CID 62381645
N-[2-cyclobutyloxy-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 62381823
N-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 62106999
2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 79424185
N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]propan-2-amine
CID 102607723
N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine
CID 82933275
4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine
CID 79421664
4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421267

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine (CID 102607807) is N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine is CCCNCC(OC1COC1)c1ccccc1C.
What is the InChIKey of N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine?
The InChIKey is PWERTCQHZCXHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-8-16-9-15(18-13-10-17-11-13)14-7-5-4-6-12(14)2/h4-7,13,15-16H,3,8-11H2,1-2H3.
What are the key properties of N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine?
N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine is sourced from PubChem (CID 102607807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).