4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline

C13H19NO2 — CID 103132582

IUPAC4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline
SMILESCc1ccc(N)cc1OCC1CCC(C)O1
InChIInChI=1S/C13H19NO2/c1-9-3-5-11(14)7-13(9)15-8-12-6-4-10(2)16-12/h3,5,7,10,12H,4,6,8,14H2,1-2H3
InChIKeyUWWRACFWGPPUFT-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.52
Rot. Bonds3

About 4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline

4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline (PubChem CID 103132582) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline.

Molecular Properties

Compound Name4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline
PubChem CID103132582
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline
SMILESCc1ccc(N)cc1OCC1CCC(C)O1
InChIInChI=1S/C13H19NO2/c1-9-3-5-11(14)7-13(9)15-8-12-6-4-10(2)16-12/h3,5,7,10,12H,4,6,8,14H2,1-2H3
InChIKeyUWWRACFWGPPUFT-UHFFFAOYSA-N
XLogP2.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
CID 103141088
3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline
CID 103132575
4-[(5-methyloxolan-2-yl)methoxy]-3-prop-2-enylaniline
CID 103132623
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
3-[(5-methyloxolan-2-yl)methoxy]pyridin-2-amine
CID 103132570
2-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103134244
(5-methyloxolan-2-yl)methyl 5-amino-2-bromobenzoate
CID 103137017
3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline
CID 79166695
2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane
CID 103134451
(1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133258
(1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133522

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline?
The IUPAC name of 4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline (CID 103132582) is 4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline.
What is the SMILES notation for 4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline?
The canonical SMILES for 4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline is Cc1ccc(N)cc1OCC1CCC(C)O1.
What is the InChIKey of 4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline?
The InChIKey is UWWRACFWGPPUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-3-5-11(14)7-13(9)15-8-12-6-4-10(2)16-12/h3,5,7,10,12H,4,6,8,14H2,1-2H3.
What are the key properties of 4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline?
4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline has a molecular weight of 221.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline is sourced from PubChem (CID 103132582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).