5-chloro-2-(oxan-3-yloxy)aniline

C11H14ClNO2 — CID 107134074

IUPAC5-chloro-2-(oxan-3-yloxy)aniline
SMILESNc1cc(Cl)ccc1OC1CCCOC1
InChIInChI=1S/C11H14ClNO2/c12-8-3-4-11(10(13)6-8)15-9-2-1-5-14-7-9/h3-4,6,9H,1-2,5,7,13H2
InChIKeySIGJGRJVAPMGBD-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.48
Rot. Bonds2

About 5-chloro-2-(oxan-3-yloxy)aniline

5-chloro-2-(oxan-3-yloxy)aniline (PubChem CID 107134074) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-chloro-2-(oxan-3-yloxy)aniline.

Molecular Properties

Compound Name5-chloro-2-(oxan-3-yloxy)aniline
PubChem CID107134074
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name5-chloro-2-(oxan-3-yloxy)aniline
SMILESNc1cc(Cl)ccc1OC1CCCOC1
InChIInChI=1S/C11H14ClNO2/c12-8-3-4-11(10(13)6-8)15-9-2-1-5-14-7-9/h3-4,6,9H,1-2,5,7,13H2
InChIKeySIGJGRJVAPMGBD-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

3-chloro-4-(oxan-3-yloxy)aniline
CID 107134076
[5-chloro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63558607
O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117397789
5-chloro-2-(4-methylcyclohexyl)oxyaniline
CID 43094022
5-amino-2-(oxan-3-yloxy)benzonitrile
CID 107134087
5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117475309
[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117452536
2-amino-3-(oxan-3-yloxy)phenol
CID 107134115
4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117473928
3,5-difluoro-2-(oxan-3-yloxy)aniline
CID 166931502
1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine
CID 117432335
1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117470745

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(oxan-3-yloxy)aniline?
The IUPAC name of 5-chloro-2-(oxan-3-yloxy)aniline (CID 107134074) is 5-chloro-2-(oxan-3-yloxy)aniline.
What is the SMILES notation for 5-chloro-2-(oxan-3-yloxy)aniline?
The canonical SMILES for 5-chloro-2-(oxan-3-yloxy)aniline is Nc1cc(Cl)ccc1OC1CCCOC1.
What is the InChIKey of 5-chloro-2-(oxan-3-yloxy)aniline?
The InChIKey is SIGJGRJVAPMGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-8-3-4-11(10(13)6-8)15-9-2-1-5-14-7-9/h3-4,6,9H,1-2,5,7,13H2.
What are the key properties of 5-chloro-2-(oxan-3-yloxy)aniline?
5-chloro-2-(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 5-chloro-2-(oxan-3-yloxy)aniline is sourced from PubChem (CID 107134074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).