(3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

C17H25NO2 — CID 105010165

IUPAC(3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCOc1cc(C(N)C2CCOC3(CCC3)C2)ccc1C
InChIInChI=1S/C17H25NO2/c1-12-4-5-13(10-15(12)19-2)16(18)14-6-9-20-17(11-14)7-3-8-17/h4-5,10,14,16H,3,6-9,11,18H2,1-2H3
InChIKeyGZJXVLJIZXGHEM-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.35
Rot. Bonds3

About (3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

(3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 105010165) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID105010165
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCOc1cc(C(N)C2CCOC3(CCC3)C2)ccc1C
InChIInChI=1S/C17H25NO2/c1-12-4-5-13(10-15(12)19-2)16(18)14-6-9-20-17(11-14)7-3-8-17/h4-5,10,14,16H,3,6-9,11,18H2,1-2H3
InChIKeyGZJXVLJIZXGHEM-UHFFFAOYSA-N
XLogP3.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79906909
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915576
(3-bromo-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010172
(3-chloro-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016187
(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914518
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81492336
2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 105017002
2,3-dihydro-1,4-benzodioxin-6-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010101
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(2-bromo-5-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105166248
(5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016736
(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016729

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of (3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 105010165) is (3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for (3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for (3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is COc1cc(C(N)C2CCOC3(CCC3)C2)ccc1C.
What is the InChIKey of (3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is GZJXVLJIZXGHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-4-5-13(10-15(12)19-2)16(18)14-6-9-20-17(11-14)7-3-8-17/h4-5,10,14,16H,3,6-9,11,18H2,1-2H3.
What are the key properties of (3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
(3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 275.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 105010165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).