2-chloro-6-(oxolan-3-ylmethoxy)aniline

C11H14ClNO2 — CID 104835038

IUPAC2-chloro-6-(oxolan-3-ylmethoxy)aniline
SMILESNc1c(Cl)cccc1OCC1CCOC1
InChIInChI=1S/C11H14ClNO2/c12-9-2-1-3-10(11(9)13)15-7-8-4-5-14-6-8/h1-3,8H,4-7,13H2
InChIKeyGAPGNDHPJUZFIO-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.34
Rot. Bonds3

About 2-chloro-6-(oxolan-3-ylmethoxy)aniline

2-chloro-6-(oxolan-3-ylmethoxy)aniline (PubChem CID 104835038) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-6-(oxolan-3-ylmethoxy)aniline.

Molecular Properties

Compound Name2-chloro-6-(oxolan-3-ylmethoxy)aniline
PubChem CID104835038
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-6-(oxolan-3-ylmethoxy)aniline
SMILESNc1c(Cl)cccc1OCC1CCOC1
InChIInChI=1S/C11H14ClNO2/c12-9-2-1-3-10(11(9)13)15-7-8-4-5-14-6-8/h1-3,8H,4-7,13H2
InChIKeyGAPGNDHPJUZFIO-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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

(E)-3-[2-chloro-6-(oxolan-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 113277042
3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
3-[[2-(3-chloroprop-1-ynyl)phenoxy]methyl]oxolane
CID 54977448
2-chloro-6-(oxolan-3-ylmethoxy)pyridine
CID 63586868
[4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 63081811
5-(oxolan-3-ylmethoxy)-1,3-benzothiazol-4-amine
CID 54976846
4-bromo-2-(oxolan-3-ylmethoxy)aniline
CID 65342327
4-[(3-chloro-2-nitrophenoxy)methyl]oxane
CID 113458811
3-[(2,4-dibromophenoxy)methyl]oxolane
CID 91641548
3-chloro-4-(oxolan-3-ylmethoxy)benzoic acid
CID 61379805
4-methoxy-3-(oxolan-3-ylmethoxy)aniline
CID 61313811
2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 54977390

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(oxolan-3-ylmethoxy)aniline?
The IUPAC name of 2-chloro-6-(oxolan-3-ylmethoxy)aniline (CID 104835038) is 2-chloro-6-(oxolan-3-ylmethoxy)aniline.
What is the SMILES notation for 2-chloro-6-(oxolan-3-ylmethoxy)aniline?
The canonical SMILES for 2-chloro-6-(oxolan-3-ylmethoxy)aniline is Nc1c(Cl)cccc1OCC1CCOC1.
What is the InChIKey of 2-chloro-6-(oxolan-3-ylmethoxy)aniline?
The InChIKey is GAPGNDHPJUZFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-9-2-1-3-10(11(9)13)15-7-8-4-5-14-6-8/h1-3,8H,4-7,13H2.
What are the key properties of 2-chloro-6-(oxolan-3-ylmethoxy)aniline?
2-chloro-6-(oxolan-3-ylmethoxy)aniline has a molecular weight of 227.69 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(oxolan-3-ylmethoxy)aniline is sourced from PubChem (CID 104835038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).