4-methoxy-3-(oxolan-3-ylmethoxy)aniline

C12H17NO3 — CID 61313811

IUPAC4-methoxy-3-(oxolan-3-ylmethoxy)aniline
SMILESCOc1ccc(N)cc1OCC1CCOC1
InChIInChI=1S/C12H17NO3/c1-14-11-3-2-10(13)6-12(11)16-8-9-4-5-15-7-9/h2-3,6,9H,4-5,7-8,13H2,1H3
InChIKeyXZGGSXYJKJCHRZ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.69
Rot. Bonds4

About 4-methoxy-3-(oxolan-3-ylmethoxy)aniline

4-methoxy-3-(oxolan-3-ylmethoxy)aniline (PubChem CID 61313811) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-methoxy-3-(oxolan-3-ylmethoxy)aniline.

Molecular Properties

Compound Name4-methoxy-3-(oxolan-3-ylmethoxy)aniline
PubChem CID61313811
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-methoxy-3-(oxolan-3-ylmethoxy)aniline
SMILESCOc1ccc(N)cc1OCC1CCOC1
InChIInChI=1S/C12H17NO3/c1-14-11-3-2-10(13)6-12(11)16-8-9-4-5-15-7-9/h2-3,6,9H,4-5,7-8,13H2,1H3
InChIKeyXZGGSXYJKJCHRZ-UHFFFAOYSA-N
XLogP1.69
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-3-(oxolan-3-ylmethoxy)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

4-methoxy-3-(oxan-2-ylmethoxy)aniline
CID 43591699
4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline
CID 57021873
methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate
CID 117053362
3-methoxy-4-(oxolan-3-ylmethylsulfonyl)aniline
CID 81207444
2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 54977200
4-bromo-2-(oxolan-3-ylmethoxy)aniline
CID 65342327
3-[5-methoxy-2-(oxolan-3-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 104706960
3-[(2,4-dibromophenoxy)methyl]oxolane
CID 91641548
3-(cyclopropylmethoxy)-4,5-dimethoxyaniline
CID 89149885
N'-hydroxy-3-methyl-4-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 54976809
3-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]oxolane
CID 54976947
2-methoxy-5-(oxolan-3-ylmethoxymethyl)benzenecarbothioamide
CID 65343766

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(oxolan-3-ylmethoxy)aniline?
The IUPAC name of 4-methoxy-3-(oxolan-3-ylmethoxy)aniline (CID 61313811) is 4-methoxy-3-(oxolan-3-ylmethoxy)aniline.
What is the SMILES notation for 4-methoxy-3-(oxolan-3-ylmethoxy)aniline?
The canonical SMILES for 4-methoxy-3-(oxolan-3-ylmethoxy)aniline is COc1ccc(N)cc1OCC1CCOC1.
What is the InChIKey of 4-methoxy-3-(oxolan-3-ylmethoxy)aniline?
The InChIKey is XZGGSXYJKJCHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-14-11-3-2-10(13)6-12(11)16-8-9-4-5-15-7-9/h2-3,6,9H,4-5,7-8,13H2,1H3.
What are the key properties of 4-methoxy-3-(oxolan-3-ylmethoxy)aniline?
4-methoxy-3-(oxolan-3-ylmethoxy)aniline has a molecular weight of 223.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(oxolan-3-ylmethoxy)aniline is sourced from PubChem (CID 61313811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).