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

C11H14ClNO2 — CID 43187374

IUPAC3-chloro-2-(oxolan-2-ylmethoxy)aniline
SMILESNc1cccc(Cl)c1OCC1CCCO1
InChIInChI=1S/C11H14ClNO2/c12-9-4-1-5-10(13)11(9)15-7-8-3-2-6-14-8/h1,4-5,8H,2-3,6-7,13H2
InChIKeyLEFOYQWVEPKGCG-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.48
Rot. Bonds3

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

3-chloro-2-(oxolan-2-ylmethoxy)aniline (PubChem CID 43187374) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-chloro-2-(oxolan-2-ylmethoxy)aniline.

Molecular Properties

Compound Name3-chloro-2-(oxolan-2-ylmethoxy)aniline
PubChem CID43187374
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name3-chloro-2-(oxolan-2-ylmethoxy)aniline
SMILESNc1cccc(Cl)c1OCC1CCCO1
InChIInChI=1S/C11H14ClNO2/c12-9-4-1-5-10(13)11(9)15-7-8-3-2-6-14-8/h1,4-5,8H,2-3,6-7,13H2
InChIKeyLEFOYQWVEPKGCG-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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

3-chloro-2-[[(2S)-oxan-2-yl]methoxy]aniline
CID 26189169
3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 107716147
N-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115954695
1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608637
(2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine
CID 42048862
[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine
CID 112607668
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane
CID 112613634
3-bromo-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 81499922
3-fluoro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 104831301
2-chloro-6-(oxan-2-ylmethoxy)benzenecarbothioamide
CID 62497722
2-[(2,4,5-trichlorophenoxy)methyl]oxolane
CID 112779327
3-chloro-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 107715792

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(oxolan-2-ylmethoxy)aniline?
The IUPAC name of 3-chloro-2-(oxolan-2-ylmethoxy)aniline (CID 43187374) is 3-chloro-2-(oxolan-2-ylmethoxy)aniline.
What is the SMILES notation for 3-chloro-2-(oxolan-2-ylmethoxy)aniline?
The canonical SMILES for 3-chloro-2-(oxolan-2-ylmethoxy)aniline is Nc1cccc(Cl)c1OCC1CCCO1.
What is the InChIKey of 3-chloro-2-(oxolan-2-ylmethoxy)aniline?
The InChIKey is LEFOYQWVEPKGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-9-4-1-5-10(13)11(9)15-7-8-3-2-6-14-8/h1,4-5,8H,2-3,6-7,13H2.
What are the key properties of 3-chloro-2-(oxolan-2-ylmethoxy)aniline?
3-chloro-2-(oxolan-2-ylmethoxy)aniline has a molecular weight of 227.69 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(oxolan-2-ylmethoxy)aniline is sourced from PubChem (CID 43187374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).