[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine

C15H21NO — CID 65008279

IUPAC[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
SMILESCCOc1ccc(C2(CN)CC3(CC3)C2)cc1
InChIInChI=1S/C15H21NO/c1-2-17-13-5-3-12(4-6-13)15(11-16)9-14(10-15)7-8-14/h3-6H,2,7-11,16H2,1H3
InChIKeyCYUVEBBPYVKQKE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.86
Rot. Bonds4

About [5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine

[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine (PubChem CID 65008279) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is [5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine.

Molecular Properties

Compound Name[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
PubChem CID65008279
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
SMILESCCOc1ccc(C2(CN)CC3(CC3)C2)cc1
InChIInChI=1S/C15H21NO/c1-2-17-13-5-3-12(4-6-13)15(11-16)9-14(10-15)7-8-14/h3-6H,2,7-11,16H2,1H3
InChIKeyCYUVEBBPYVKQKE-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine?
The IUPAC name of [5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine (CID 65008279) is [5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine.
What is the SMILES notation for [5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine?
The canonical SMILES for [5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine is CCOc1ccc(C2(CN)CC3(CC3)C2)cc1.
What is the InChIKey of [5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine?
The InChIKey is CYUVEBBPYVKQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-17-13-5-3-12(4-6-13)15(11-16)9-14(10-15)7-8-14/h3-6H,2,7-11,16H2,1H3.
What are the key properties of [5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine?
[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine has a molecular weight of 231.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine is sourced from PubChem (CID 65008279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).