5-chloro-2-(oxolan-3-yloxymethyl)aniline

C11H14ClNO2 — CID 63557218

IUPAC5-chloro-2-(oxolan-3-yloxymethyl)aniline
SMILESNc1cc(Cl)ccc1COC1CCOC1
InChIInChI=1S/C11H14ClNO2/c12-9-2-1-8(11(13)5-9)6-15-10-3-4-14-7-10/h1-2,5,10H,3-4,6-7,13H2
InChIKeyIOZOVSLUMCVNES-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.23
Rot. Bonds3

About 5-chloro-2-(oxolan-3-yloxymethyl)aniline

5-chloro-2-(oxolan-3-yloxymethyl)aniline (PubChem CID 63557218) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-chloro-2-(oxolan-3-yloxymethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(oxolan-3-yloxymethyl)aniline
PubChem CID63557218
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name5-chloro-2-(oxolan-3-yloxymethyl)aniline
SMILESNc1cc(Cl)ccc1COC1CCOC1
InChIInChI=1S/C11H14ClNO2/c12-9-2-1-8(11(13)5-9)6-15-10-3-4-14-7-10/h1-2,5,10H,3-4,6-7,13H2
InChIKeyIOZOVSLUMCVNES-UHFFFAOYSA-N
XLogP2.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.23
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-chloro-2-(oxetan-3-yloxymethyl)aniline
CID 102605621
2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine
CID 115465001
N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide
CID 63556620
oxolan-3-yl 2-amino-4-chlorobenzoate
CID 63557456
5-chloro-2-[(2-methylcyclohexyl)oxymethyl]aniline
CID 55037355
[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63558607
2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine
CID 116519481
3-fluoro-4-(oxolan-3-yloxymethyl)benzonitrile
CID 63556454
[3-fluoro-4-(oxolan-3-yloxymethyl)phenyl]boronic acid
CID 63556693
5-chloro-2-(oxan-3-yloxy)aniline
CID 107134074
1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone
CID 55225720
3-methyl-4-(oxolan-3-yloxymethyl)benzonitrile
CID 114481616

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(oxolan-3-yloxymethyl)aniline?
The IUPAC name of 5-chloro-2-(oxolan-3-yloxymethyl)aniline (CID 63557218) is 5-chloro-2-(oxolan-3-yloxymethyl)aniline.
What is the SMILES notation for 5-chloro-2-(oxolan-3-yloxymethyl)aniline?
The canonical SMILES for 5-chloro-2-(oxolan-3-yloxymethyl)aniline is Nc1cc(Cl)ccc1COC1CCOC1.
What is the InChIKey of 5-chloro-2-(oxolan-3-yloxymethyl)aniline?
The InChIKey is IOZOVSLUMCVNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-9-2-1-8(11(13)5-9)6-15-10-3-4-14-7-10/h1-2,5,10H,3-4,6-7,13H2.
What are the key properties of 5-chloro-2-(oxolan-3-yloxymethyl)aniline?
5-chloro-2-(oxolan-3-yloxymethyl)aniline has a molecular weight of 227.69 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(oxolan-3-yloxymethyl)aniline is sourced from PubChem (CID 63557218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).