2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C15H21NO2 — CID 65422682

IUPAC2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESNC1(CCCOc2ccccc2)CC2CCC1O2
InChIInChI=1S/C15H21NO2/c16-15(11-13-7-8-14(15)18-13)9-4-10-17-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11,16H2
InChIKeyWBQBVTYKKNPVHL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.49
Rot. Bonds5

About 2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine

2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 65422682) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID65422682
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESNC1(CCCOc2ccccc2)CC2CCC1O2
InChIInChI=1S/C15H21NO2/c16-15(11-13-7-8-14(15)18-13)9-4-10-17-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11,16H2
InChIKeyWBQBVTYKKNPVHL-UHFFFAOYSA-N
XLogP2.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.49
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

2-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 65395649
4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine
CID 55157069
1-(3-phenoxypropyl)cycloheptan-1-amine
CID 62937840
2-[2-(4-bromophenoxy)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 65394608
[1-(3-phenoxypropyl)cyclopropyl]methanamine
CID 66026187
3-(3-chloro-1-methylcyclopentyl)propoxybenzene
CID 116540356
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine
CID 62622533
3-methyl-1-(3-phenoxypropyl)cyclopentane-1-carbonitrile
CID 65401453
CID 66992995
CID 66992995
2-(3-phenoxypropyl)oxirane
CID 23468414
8-benzyl-3-(3-phenoxypropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954986

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 65422682) is 2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine is NC1(CCCOc2ccccc2)CC2CCC1O2.
What is the InChIKey of 2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is WBQBVTYKKNPVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c16-15(11-13-7-8-14(15)18-13)9-4-10-17-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11,16H2.
What are the key properties of 2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 247.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65422682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).