3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline

C16H24N2O — CID 79689222

IUPAC3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1CN1CC2(CCCCC2)C1
InChIInChI=1S/C16H24N2O/c1-19-15-6-5-14(17)9-13(15)10-18-11-16(12-18)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-12,17H2,1H3
InChIKeyJOAMRUSBLOQKNK-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.04
Rot. Bonds3

About 3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline

3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline (PubChem CID 79689222) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline.

Molecular Properties

Compound Name3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline
PubChem CID79689222
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1CN1CC2(CCCCC2)C1
InChIInChI=1S/C16H24N2O/c1-19-15-6-5-14(17)9-13(15)10-18-11-16(12-18)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-12,17H2,1H3
InChIKeyJOAMRUSBLOQKNK-UHFFFAOYSA-N
XLogP3.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline
CID 107208413
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methoxyaniline
CID 43581167
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
CID 43134589
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-methoxyaniline
CID 43620120
1-[(5-amino-2-methoxyphenyl)methyl]azepane-2,7-dione
CID 43447450
[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 43134614
3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline
CID 43584169
2-(2-azaspiro[3.5]nonan-2-ylmethyl)aniline
CID 79689000
4-[(5-amino-2-methoxyphenyl)methyl]-1,4-diazepan-2-one
CID 65361272
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-methoxyaniline
CID 79940675
1-[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 106835457
4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390802

Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline?
The IUPAC name of 3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline (CID 79689222) is 3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline.
What is the SMILES notation for 3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline?
The canonical SMILES for 3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline is COc1ccc(N)cc1CN1CC2(CCCCC2)C1.
What is the InChIKey of 3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline?
The InChIKey is JOAMRUSBLOQKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-19-15-6-5-14(17)9-13(15)10-18-11-16(12-18)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-12,17H2,1H3.
What are the key properties of 3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline?
3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline has a molecular weight of 260.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline is sourced from PubChem (CID 79689222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).