[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine

C14H19NO — CID 65008172

IUPAC[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
SMILESCOc1ccccc1C1(CN)CC2(CC2)C1
InChIInChI=1S/C14H19NO/c1-16-12-5-3-2-4-11(12)14(10-15)8-13(9-14)6-7-13/h2-5H,6-10,15H2,1H3
InChIKeyYVSQSPFVGXWGQF-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.47
Rot. Bonds3

About [5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine

[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine (PubChem CID 65008172) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is [5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
PubChem CID65008172
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
SMILESCOc1ccccc1C1(CN)CC2(CC2)C1
InChIInChI=1S/C14H19NO/c1-16-12-5-3-2-4-11(12)14(10-15)8-13(9-14)6-7-13/h2-5H,6-10,15H2,1H3
InChIKeyYVSQSPFVGXWGQF-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine?
The IUPAC name of [5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine (CID 65008172) is [5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine.
What is the SMILES notation for [5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine?
The canonical SMILES for [5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine is COc1ccccc1C1(CN)CC2(CC2)C1.
What is the InChIKey of [5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine?
The InChIKey is YVSQSPFVGXWGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-12-5-3-2-4-11(12)14(10-15)8-13(9-14)6-7-13/h2-5H,6-10,15H2,1H3.
What are the key properties of [5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine?
[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine has a molecular weight of 217.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine is sourced from PubChem (CID 65008172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).