5-methyl-2-(oxan-4-yloxy)aniline

C12H17NO2 — CID 61267533

IUPAC5-methyl-2-(oxan-4-yloxy)aniline
SMILESCc1ccc(OC2CCOCC2)c(N)c1
InChIInChI=1S/C12H17NO2/c1-9-2-3-12(11(13)8-9)15-10-4-6-14-7-5-10/h2-3,8,10H,4-7,13H2,1H3
InChIKeyWHOCVTDEOMCWSC-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.14
Rot. Bonds2

About 5-methyl-2-(oxan-4-yloxy)aniline

5-methyl-2-(oxan-4-yloxy)aniline (PubChem CID 61267533) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 5-methyl-2-(oxan-4-yloxy)aniline.

Molecular Properties

Compound Name5-methyl-2-(oxan-4-yloxy)aniline
PubChem CID61267533
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name5-methyl-2-(oxan-4-yloxy)aniline
SMILESCc1ccc(OC2CCOCC2)c(N)c1
InChIInChI=1S/C12H17NO2/c1-9-2-3-12(11(13)8-9)15-10-4-6-14-7-5-10/h2-3,8,10H,4-7,13H2,1H3
InChIKeyWHOCVTDEOMCWSC-UHFFFAOYSA-N
XLogP2.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.14
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

5-iodo-2-(oxan-4-yloxy)aniline
CID 58221541
4-(2-chloro-4-methylphenoxy)oxane
CID 58103858
[5-methyl-2-(oxan-4-yloxy)phenyl]methanamine
CID 63936820
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine
CID 63935405
2-(oxan-4-yloxy)-5-(trifluoromethyl)aniline
CID 61269565
5-methyl-2-[(3S)-1-methylpyrrolidin-3-yl]oxyaniline
CID 170995493
3-amino-N-methyl-4-(oxan-4-yloxy)benzenesulfonamide
CID 61268267
N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine
CID 77013728
4-methyl-2-(oxan-4-yloxy)benzoic acid
CID 62701923
2-(1,1-dioxothiolan-3-yl)oxy-5-methylaniline
CID 61313611
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanol
CID 63935425
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63557142

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(oxan-4-yloxy)aniline?
The IUPAC name of 5-methyl-2-(oxan-4-yloxy)aniline (CID 61267533) is 5-methyl-2-(oxan-4-yloxy)aniline.
What is the SMILES notation for 5-methyl-2-(oxan-4-yloxy)aniline?
The canonical SMILES for 5-methyl-2-(oxan-4-yloxy)aniline is Cc1ccc(OC2CCOCC2)c(N)c1.
What is the InChIKey of 5-methyl-2-(oxan-4-yloxy)aniline?
The InChIKey is WHOCVTDEOMCWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-2-3-12(11(13)8-9)15-10-4-6-14-7-5-10/h2-3,8,10H,4-7,13H2,1H3.
What are the key properties of 5-methyl-2-(oxan-4-yloxy)aniline?
5-methyl-2-(oxan-4-yloxy)aniline has a molecular weight of 207.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxan-4-yloxy)aniline is sourced from PubChem (CID 61267533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).