(3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

C17H25NO3 — CID 79906909

IUPAC(3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCOc1ccc(C(N)C2CCOC3(CCC3)C2)cc1OC
InChIInChI=1S/C17H25NO3/c1-19-14-5-4-12(10-15(14)20-2)16(18)13-6-9-21-17(11-13)7-3-8-17/h4-5,10,13,16H,3,6-9,11,18H2,1-2H3
InChIKeyNYJQVRQJWVYGJW-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.05
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

(3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 79906909) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID79906909
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCOc1ccc(C(N)C2CCOC3(CCC3)C2)cc1OC
InChIInChI=1S/C17H25NO3/c1-19-14-5-4-12(10-15(14)20-2)16(18)13-6-9-21-17(11-13)7-3-8-17/h4-5,10,13,16H,3,6-9,11,18H2,1-2H3
InChIKeyNYJQVRQJWVYGJW-UHFFFAOYSA-N
XLogP3.05
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010165
(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
(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
(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine
CID 61271784
(5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016736
(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914518
2,3-dihydro-1,4-benzodioxin-6-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010101
(3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79907174
(3-chloro-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016187
5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine
CID 79914138

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of (3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 79906909) is (3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for (3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is COc1ccc(C(N)C2CCOC3(CCC3)C2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is NYJQVRQJWVYGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-14-5-4-12(10-15(14)20-2)16(18)13-6-9-21-17(11-13)7-3-8-17/h4-5,10,13,16H,3,6-9,11,18H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
(3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 291.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 79906909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).