2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine

C15H21NO — CID 65009061

IUPAC2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine
SMILESCCOc1ccc(C2(N)CC3(CCC3)C2)cc1
InChIInChI=1S/C15H21NO/c1-2-17-13-6-4-12(5-7-13)15(16)10-14(11-15)8-3-9-14/h4-7H,2-3,8-11,16H2,1H3
InChIKeyGXGREVXFSFQTDE-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.20
Rot. Bonds3

About 2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine

2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine (PubChem CID 65009061) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine
PubChem CID65009061
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine
SMILESCCOc1ccc(C2(N)CC3(CCC3)C2)cc1
InChIInChI=1S/C15H21NO/c1-2-17-13-6-4-12(5-7-13)15(16)10-14(11-15)8-3-9-14/h4-7H,2-3,8-11,16H2,1H3
InChIKeyGXGREVXFSFQTDE-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine?
The IUPAC name of 2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine (CID 65009061) is 2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine.
What is the SMILES notation for 2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine?
The canonical SMILES for 2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine is CCOc1ccc(C2(N)CC3(CCC3)C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine?
The InChIKey is GXGREVXFSFQTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-17-13-6-4-12(5-7-13)15(16)10-14(11-15)8-3-9-14/h4-7H,2-3,8-11,16H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine?
2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine has a molecular weight of 231.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine is sourced from PubChem (CID 65009061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).