2-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline

C17H25NO2 — CID 102896587

IUPAC2-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
SMILESCCOc1ccccc1NCC1CCC2(CCCC2)O1
InChIInChI=1S/C17H25NO2/c1-2-19-16-8-4-3-7-15(16)18-13-14-9-12-17(20-14)10-5-6-11-17/h3-4,7-8,14,18H,2,5-6,9-13H2,1H3
InChIKeyVMIUSOQNRWYSKW-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.99
Rot. Bonds5

About 2-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline

2-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline (PubChem CID 102896587) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
PubChem CID102896587
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
SMILESCCOc1ccccc1NCC1CCC2(CCCC2)O1
InChIInChI=1S/C17H25NO2/c1-2-19-16-8-4-3-7-15(16)18-13-14-9-12-17(20-14)10-5-6-11-17/h3-4,7-8,14,18H,2,5-6,9-13H2,1H3
InChIKeyVMIUSOQNRWYSKW-UHFFFAOYSA-N
XLogP3.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline 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

2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 102896577
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline
CID 116521071
2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)benzonitrile
CID 102896673
2-bromo-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
CID 102897644
2-chloro-4-fluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 102896790
2-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172087
2-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855753
2,5-dichloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
CID 102896565
4-bromo-3-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 102897684
1-[(2-ethoxyanilino)methyl]cyclobutan-1-ol
CID 131701664
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896209
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-ethoxyaniline
CID 66393336

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline?
The IUPAC name of 2-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline (CID 102896587) is 2-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline.
What is the SMILES notation for 2-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline?
The canonical SMILES for 2-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline is CCOc1ccccc1NCC1CCC2(CCCC2)O1.
What is the InChIKey of 2-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline?
The InChIKey is VMIUSOQNRWYSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-19-16-8-4-3-7-15(16)18-13-14-9-12-17(20-14)10-5-6-11-17/h3-4,7-8,14,18H,2,5-6,9-13H2,1H3.
What are the key properties of 2-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline?
2-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline has a molecular weight of 275.39 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline is sourced from PubChem (CID 102896587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).