2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine

C12H15NO2 — CID 126480378

IUPAC2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine
SMILESNC1(c2ccccc2)CC2(C1)OCCO2
InChIInChI=1S/C12H15NO2/c13-11(10-4-2-1-3-5-10)8-12(9-11)14-6-7-15-12/h1-5H,6-9,13H2
InChIKeyAPDAYKLROGCAND-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.38
Rot. Bonds1

About 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine

2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine (PubChem CID 126480378) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine.

Molecular Properties

Compound Name2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine
PubChem CID126480378
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine
SMILESNC1(c2ccccc2)CC2(C1)OCCO2
InChIInChI=1S/C12H15NO2/c13-11(10-4-2-1-3-5-10)8-12(9-11)14-6-7-15-12/h1-5H,6-9,13H2
InChIKeyAPDAYKLROGCAND-UHFFFAOYSA-N
XLogP1.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2,2-dimethyl-4-phenyloxan-4-amine
CID 129406245
5-phenylspiro[2.3]hexan-5-amine
CID 65008648
3-phenyloxetan-3-amine;hydrochloride
CID 53256980
ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 91262908
8-methoxy-8-phenyl-1,4-dioxaspiro[4.5]decane
CID 22492982
[(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine
CID 129395694
2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine
CID 24960031
2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 12934420
N-ethenyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 163639590
N-ethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 130201014
1,4-dioxaspiro[4.5]decane;phenylmethanamine
CID 143618966
2-[4-(9-phenyl-3-propan-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-4-ium-1-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine
CID 91232160

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine?
The IUPAC name of 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine (CID 126480378) is 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine.
What is the SMILES notation for 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine?
The canonical SMILES for 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine is NC1(c2ccccc2)CC2(C1)OCCO2.
What is the InChIKey of 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine?
The InChIKey is APDAYKLROGCAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-11(10-4-2-1-3-5-10)8-12(9-11)14-6-7-15-12/h1-5H,6-9,13H2.
What are the key properties of 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine?
2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine has a molecular weight of 205.26 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine is sourced from PubChem (CID 126480378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).