N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine

C15H23NO — CID 79763588

IUPACN-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine
SMILESCc1ccccc1CCNCCC1CCCO1
InChIInChI=1S/C15H23NO/c1-13-5-2-3-6-14(13)8-10-16-11-9-15-7-4-12-17-15/h2-3,5-6,15-16H,4,7-12H2,1H3
InChIKeyACAOFFTYSZYGIZ-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.70
Rot. Bonds6

About N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine

N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 79763588) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine
PubChem CID79763588
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine
SMILESCc1ccccc1CCNCCC1CCCO1
InChIInChI=1S/C15H23NO/c1-13-5-2-3-6-14(13)8-10-16-11-9-15-7-4-12-17-15/h2-3,5-6,15-16H,4,7-12H2,1H3
InChIKeyACAOFFTYSZYGIZ-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 54807643
2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline
CID 107274414
N-[2-(2-methylphenyl)ethyl]-2-propyloxan-4-amine
CID 79762409
2-[2-[3-(oxolan-2-yl)propylamino]ethyl]benzoic acid
CID 104546797
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115967929
2-[2-(methylamino)ethyl]-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 104547635
1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine
CID 114929660
N-[2-(3-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163255
N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79749259
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992756
N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62134783
N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
CID 65164090

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine (CID 79763588) is N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine is Cc1ccccc1CCNCCC1CCCO1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is ACAOFFTYSZYGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13-5-2-3-6-14(13)8-10-16-11-9-15-7-4-12-17-15/h2-3,5-6,15-16H,4,7-12H2,1H3.
What are the key properties of N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine?
N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 233.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 79763588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).