3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline

C12H16ClNO2 — CID 107716147

IUPAC3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline
SMILESNc1cccc(Cl)c1OCCC1CCCO1
InChIInChI=1S/C12H16ClNO2/c13-10-4-1-5-11(14)12(10)16-8-6-9-3-2-7-15-9/h1,4-5,9H,2-3,6-8,14H2
InChIKeySRQPORHBAUNUFO-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.87
Rot. Bonds4

About 3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline

3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline (PubChem CID 107716147) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline.

Molecular Properties

Compound Name3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline
PubChem CID107716147
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline
SMILESNc1cccc(Cl)c1OCCC1CCCO1
InChIInChI=1S/C12H16ClNO2/c13-10-4-1-5-11(14)12(10)16-8-6-9-3-2-7-15-9/h1,4-5,9H,2-3,6-8,14H2
InChIKeySRQPORHBAUNUFO-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.87
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-(oxolan-2-ylmethoxy)aniline
CID 43187374
[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine
CID 112607668
3-bromo-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 81499922
3-fluoro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 104831301
3-chloro-2-[[(2S)-oxan-2-yl]methoxy]aniline
CID 26189169
3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline
CID 65159099
N-[[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 115953760
[3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
CID 112612609
2-[3-[2-(bromomethyl)-6-chlorophenoxy]propyl]oxolane
CID 112613783
2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 113277398
2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane
CID 112613659
2-(2-aminoethoxy)-3-chloroaniline
CID 122439573

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline?
The IUPAC name of 3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline (CID 107716147) is 3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline.
What is the SMILES notation for 3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline?
The canonical SMILES for 3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline is Nc1cccc(Cl)c1OCCC1CCCO1.
What is the InChIKey of 3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline?
The InChIKey is SRQPORHBAUNUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-10-4-1-5-11(14)12(10)16-8-6-9-3-2-7-15-9/h1,4-5,9H,2-3,6-8,14H2.
What are the key properties of 3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline?
3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline has a molecular weight of 241.72 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline is sourced from PubChem (CID 107716147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).