N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline

C15H23NO2 — CID 116521071

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline
SMILESCCOc1ccccc1NCC1CCC(C)(C)O1
InChIInChI=1S/C15H23NO2/c1-4-17-14-8-6-5-7-13(14)16-11-12-9-10-15(2,3)18-12/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyLGPLEQINZNDFRQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.45
Rot. Bonds5

About N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline

N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline (PubChem CID 116521071) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline
PubChem CID116521071
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline
SMILESCCOc1ccccc1NCC1CCC(C)(C)O1
InChIInChI=1S/C15H23NO2/c1-4-17-14-8-6-5-7-13(14)16-11-12-9-10-15(2,3)18-12/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyLGPLEQINZNDFRQ-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline 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-ethoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 102896587
2-methoxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 102896577
2-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172087
N-[(5,5-dimethyloxolan-2-yl)methyl]-4-propoxyaniline
CID 116521401
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-ethoxyaniline
CID 66393336
2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzaldehyde
CID 116521952
2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane
CID 116524402
1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine
CID 116521506
2-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855753
2-[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanol
CID 107713050
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline (CID 116521071) is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline is CCOc1ccccc1NCC1CCC(C)(C)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline?
The InChIKey is LGPLEQINZNDFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-17-14-8-6-5-7-13(14)16-11-12-9-10-15(2,3)18-12/h5-8,12,16H,4,9-11H2,1-3H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline?
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline has a molecular weight of 249.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline is sourced from PubChem (CID 116521071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).