3-chloro-4-(oxan-3-yloxy)aniline

C11H14ClNO2 — CID 107134076

IUPAC3-chloro-4-(oxan-3-yloxy)aniline
SMILESNc1ccc(OC2CCCOC2)c(Cl)c1
InChIInChI=1S/C11H14ClNO2/c12-10-6-8(13)3-4-11(10)15-9-2-1-5-14-7-9/h3-4,6,9H,1-2,5,7,13H2
InChIKeyOOLJJXWVLAOPFK-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.48
Rot. Bonds2

About 3-chloro-4-(oxan-3-yloxy)aniline

3-chloro-4-(oxan-3-yloxy)aniline (PubChem CID 107134076) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-chloro-4-(oxan-3-yloxy)aniline.

Molecular Properties

Compound Name3-chloro-4-(oxan-3-yloxy)aniline
PubChem CID107134076
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name3-chloro-4-(oxan-3-yloxy)aniline
SMILESNc1ccc(OC2CCCOC2)c(Cl)c1
InChIInChI=1S/C11H14ClNO2/c12-10-6-8(13)3-4-11(10)15-9-2-1-5-14-7-9/h3-4,6,9H,1-2,5,7,13H2
InChIKeyOOLJJXWVLAOPFK-UHFFFAOYSA-N
XLogP2.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117397789
5-chloro-2-(oxan-3-yloxy)aniline
CID 107134074
5-amino-2-(oxan-3-yloxy)benzonitrile
CID 107134087
[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117452536
5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117475309
4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117473928
1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine
CID 117432335
2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine
CID 143034204
2-[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]acetic acid
CID 117495625
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117427899
2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine
CID 117452468
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005382

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(oxan-3-yloxy)aniline?
The IUPAC name of 3-chloro-4-(oxan-3-yloxy)aniline (CID 107134076) is 3-chloro-4-(oxan-3-yloxy)aniline.
What is the SMILES notation for 3-chloro-4-(oxan-3-yloxy)aniline?
The canonical SMILES for 3-chloro-4-(oxan-3-yloxy)aniline is Nc1ccc(OC2CCCOC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(oxan-3-yloxy)aniline?
The InChIKey is OOLJJXWVLAOPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-10-6-8(13)3-4-11(10)15-9-2-1-5-14-7-9/h3-4,6,9H,1-2,5,7,13H2.
What are the key properties of 3-chloro-4-(oxan-3-yloxy)aniline?
3-chloro-4-(oxan-3-yloxy)aniline has a molecular weight of 227.69 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(oxan-3-yloxy)aniline is sourced from PubChem (CID 107134076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).