N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(4-propan-2-ylphenoxy)ethanamine

C17H25NO2 — CID 75384782

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(4-propan-2-ylphenoxy)ethanamine
SMILESCC(C)c1ccc(OCCNCC2=CCCOC2)cc1
InChIInChI=1S/C17H25NO2/c1-14(2)16-5-7-17(8-6-16)20-11-9-18-12-15-4-3-10-19-13-15/h4-8,14,18H,3,9-13H2,1-2H3
InChIKeyQNABMJRKSNEGTG-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.13
Rot. Bonds7

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(4-propan-2-ylphenoxy)ethanamine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(4-propan-2-ylphenoxy)ethanamine (PubChem CID 75384782) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(4-propan-2-ylphenoxy)ethanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(4-propan-2-ylphenoxy)ethanamine
PubChem CID75384782
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(4-propan-2-ylphenoxy)ethanamine
SMILESCC(C)c1ccc(OCCNCC2=CCCOC2)cc1
InChIInChI=1S/C17H25NO2/c1-14(2)16-5-7-17(8-6-16)20-11-9-18-12-15-4-3-10-19-13-15/h4-8,14,18H,3,9-13H2,1-2H3
InChIKeyQNABMJRKSNEGTG-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine
CID 63506385
N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115674359
N-[3-(4-methylphenoxy)propyl]-4-propan-2-ylaniline
CID 82096139
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
2-(2-methoxyethylamino)-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 119735524
1-(fluoromethoxy)-4-propan-2-ylbenzene
CID 90078626
2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 94687173
4-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)ethyl]aniline
CID 54799699
2-(4-butan-2-ylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 107668554
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine
CID 115742119
1-pent-4-enoxy-4-propan-2-ylbenzene
CID 64764392

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(4-propan-2-ylphenoxy)ethanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(4-propan-2-ylphenoxy)ethanamine (CID 75384782) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(4-propan-2-ylphenoxy)ethanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(4-propan-2-ylphenoxy)ethanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(4-propan-2-ylphenoxy)ethanamine is CC(C)c1ccc(OCCNCC2=CCCOC2)cc1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(4-propan-2-ylphenoxy)ethanamine?
The InChIKey is QNABMJRKSNEGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14(2)16-5-7-17(8-6-16)20-11-9-18-12-15-4-3-10-19-13-15/h4-8,14,18H,3,9-13H2,1-2H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(4-propan-2-ylphenoxy)ethanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(4-propan-2-ylphenoxy)ethanamine has a molecular weight of 275.39 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(4-propan-2-ylphenoxy)ethanamine is sourced from PubChem (CID 75384782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).