3-chloro-5-(furan-3-yl)aniline

C10H8ClNO — CID 165490073

IUPAC3-chloro-5-(furan-3-yl)aniline
SMILESNc1cc(Cl)cc(-c2ccoc2)c1
InChIInChI=1S/C10H8ClNO/c11-9-3-8(4-10(12)5-9)7-1-2-13-6-7/h1-6H,12H2
InChIKeyUWBWREIIWRXNCI-UHFFFAOYSA-N
MW193.63 g/mol
LogP3.18
Rot. Bonds1

About 3-chloro-5-(furan-3-yl)aniline

3-chloro-5-(furan-3-yl)aniline (PubChem CID 165490073) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 3-chloro-5-(furan-3-yl)aniline.

Molecular Properties

Compound Name3-chloro-5-(furan-3-yl)aniline
PubChem CID165490073
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name3-chloro-5-(furan-3-yl)aniline
SMILESNc1cc(Cl)cc(-c2ccoc2)c1
InChIInChI=1S/C10H8ClNO/c11-9-3-8(4-10(12)5-9)7-1-2-13-6-7/h1-6H,12H2
InChIKeyUWBWREIIWRXNCI-UHFFFAOYSA-N
XLogP3.18
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(furan-3-yl)aniline?
The IUPAC name of 3-chloro-5-(furan-3-yl)aniline (CID 165490073) is 3-chloro-5-(furan-3-yl)aniline.
What is the SMILES notation for 3-chloro-5-(furan-3-yl)aniline?
The canonical SMILES for 3-chloro-5-(furan-3-yl)aniline is Nc1cc(Cl)cc(-c2ccoc2)c1.
What is the InChIKey of 3-chloro-5-(furan-3-yl)aniline?
The InChIKey is UWBWREIIWRXNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c11-9-3-8(4-10(12)5-9)7-1-2-13-6-7/h1-6H,12H2.
What are the key properties of 3-chloro-5-(furan-3-yl)aniline?
3-chloro-5-(furan-3-yl)aniline has a molecular weight of 193.63 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(furan-3-yl)aniline is sourced from PubChem (CID 165490073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).