1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine

C17H24ClNO2 — CID 65006264

IUPAC1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine
SMILESCNCC1(c2cc(Cl)ccc2OC)CC2(CCOCC2)C1
InChIInChI=1S/C17H24ClNO2/c1-19-12-17(10-16(11-17)5-7-21-8-6-16)14-9-13(18)3-4-15(14)20-2/h3-4,9,19H,5-8,10-12H2,1-2H3
InChIKeyHXWCCBKDEJMUHP-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.40
Rot. Bonds4

About 1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine

1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine (PubChem CID 65006264) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine
PubChem CID65006264
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine
SMILESCNCC1(c2cc(Cl)ccc2OC)CC2(CCOCC2)C1
InChIInChI=1S/C17H24ClNO2/c1-19-12-17(10-16(11-17)5-7-21-8-6-16)14-9-13(18)3-4-15(14)20-2/h3-4,9,19H,5-8,10-12H2,1-2H3
InChIKeyHXWCCBKDEJMUHP-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine (CID 65006264) is 1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine is CNCC1(c2cc(Cl)ccc2OC)CC2(CCOCC2)C1.
What is the InChIKey of 1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine?
The InChIKey is HXWCCBKDEJMUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-19-12-17(10-16(11-17)5-7-21-8-6-16)14-9-13(18)3-4-15(14)20-2/h3-4,9,19H,5-8,10-12H2,1-2H3.
What are the key properties of 1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine?
1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine has a molecular weight of 309.84 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 65006264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).