2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline

C11H15NO3 — CID 166611371

IUPAC2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline
SMILESCOc1cc(O[C@H]2CCOC2)ccc1N
InChIInChI=1S/C11H15NO3/c1-13-11-6-8(2-3-10(11)12)15-9-4-5-14-7-9/h2-3,6,9H,4-5,7,12H2,1H3/t9-/m0/s1
InChIKeyCZKKTLSEKTWAHO-VIFPVBQESA-N
MW209.25 g/mol
LogP1.45
Rot. Bonds3

About 2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline

2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline (PubChem CID 166611371) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline.

Molecular Properties

Compound Name2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline
PubChem CID166611371
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline
SMILESCOc1cc(O[C@H]2CCOC2)ccc1N
InChIInChI=1S/C11H15NO3/c1-13-11-6-8(2-3-10(11)12)15-9-4-5-14-7-9/h2-3,6,9H,4-5,7,12H2,1H3/t9-/m0/s1
InChIKeyCZKKTLSEKTWAHO-VIFPVBQESA-N
XLogP1.45
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-(oxetan-3-yloxy)aniline
CID 102605470
2-[2-methoxy-4-[(3R)-oxolan-3-yl]oxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140889304
2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine
CID 143034204
2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
CID 67208572
2-ethoxy-4-(oxetan-3-yloxy)aniline
CID 102605509
2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline
CID 155920771
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
methyl 4-amino-3-(oxolan-3-yloxy)benzoate
CID 59360023
(3R)-3-(4-fluoro-3-methylphenoxy)oxolane
CID 170235553
(3R)-3-(4-bromo-3-methylphenoxy)oxolane
CID 138986690
4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 102702521
7-(oxolan-3-yloxy)quinazolin-4-amine
CID 150616160

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline?
The IUPAC name of 2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline (CID 166611371) is 2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline.
What is the SMILES notation for 2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline?
The canonical SMILES for 2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline is COc1cc(O[C@H]2CCOC2)ccc1N.
What is the InChIKey of 2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline?
The InChIKey is CZKKTLSEKTWAHO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO3/c1-13-11-6-8(2-3-10(11)12)15-9-4-5-14-7-9/h2-3,6,9H,4-5,7,12H2,1H3/t9-/m0/s1.
What are the key properties of 2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline?
2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline has a molecular weight of 209.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(3S)-oxolan-3-yl]oxyaniline is sourced from PubChem (CID 166611371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).