2-methyl-4-(oxolan-3-ylmethoxy)aniline

C12H17NO2 — CID 61313415

IUPAC2-methyl-4-(oxolan-3-ylmethoxy)aniline
SMILESCc1cc(OCC2CCOC2)ccc1N
InChIInChI=1S/C12H17NO2/c1-9-6-11(2-3-12(9)13)15-8-10-4-5-14-7-10/h2-3,6,10H,4-5,7-8,13H2,1H3
InChIKeyMGMCMROLZHRFIY-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.99
Rot. Bonds3

About 2-methyl-4-(oxolan-3-ylmethoxy)aniline

2-methyl-4-(oxolan-3-ylmethoxy)aniline (PubChem CID 61313415) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-methyl-4-(oxolan-3-ylmethoxy)aniline.

Molecular Properties

Compound Name2-methyl-4-(oxolan-3-ylmethoxy)aniline
PubChem CID61313415
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-methyl-4-(oxolan-3-ylmethoxy)aniline
SMILESCc1cc(OCC2CCOC2)ccc1N
InChIInChI=1S/C12H17NO2/c1-9-6-11(2-3-12(9)13)15-8-10-4-5-14-7-10/h2-3,6,10H,4-5,7-8,13H2,1H3
InChIKeyMGMCMROLZHRFIY-UHFFFAOYSA-N
XLogP1.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(oxolan-3-ylmethoxy)aniline?
The IUPAC name of 2-methyl-4-(oxolan-3-ylmethoxy)aniline (CID 61313415) is 2-methyl-4-(oxolan-3-ylmethoxy)aniline.
What is the SMILES notation for 2-methyl-4-(oxolan-3-ylmethoxy)aniline?
The canonical SMILES for 2-methyl-4-(oxolan-3-ylmethoxy)aniline is Cc1cc(OCC2CCOC2)ccc1N.
What is the InChIKey of 2-methyl-4-(oxolan-3-ylmethoxy)aniline?
The InChIKey is MGMCMROLZHRFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-6-11(2-3-12(9)13)15-8-10-4-5-14-7-10/h2-3,6,10H,4-5,7-8,13H2,1H3.
What are the key properties of 2-methyl-4-(oxolan-3-ylmethoxy)aniline?
2-methyl-4-(oxolan-3-ylmethoxy)aniline has a molecular weight of 207.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(oxolan-3-ylmethoxy)aniline is sourced from PubChem (CID 61313415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).