2-chloro-4-(furan-2-yl)-6-methylaniline

C11H10ClNO — CID 75176223

IUPAC2-chloro-4-(furan-2-yl)-6-methylaniline
SMILESCc1cc(-c2ccco2)cc(Cl)c1N
InChIInChI=1S/C11H10ClNO/c1-7-5-8(6-9(12)11(7)13)10-3-2-4-14-10/h2-6H,13H2,1H3
InChIKeyZLQKVDPPLCOKLH-UHFFFAOYSA-N
MW207.66 g/mol
LogP3.49
Rot. Bonds1

About 2-chloro-4-(furan-2-yl)-6-methylaniline

2-chloro-4-(furan-2-yl)-6-methylaniline (PubChem CID 75176223) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-chloro-4-(furan-2-yl)-6-methylaniline.

Molecular Properties

Compound Name2-chloro-4-(furan-2-yl)-6-methylaniline
PubChem CID75176223
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name2-chloro-4-(furan-2-yl)-6-methylaniline
SMILESCc1cc(-c2ccco2)cc(Cl)c1N
InChIInChI=1S/C11H10ClNO/c1-7-5-8(6-9(12)11(7)13)10-3-2-4-14-10/h2-6H,13H2,1H3
InChIKeyZLQKVDPPLCOKLH-UHFFFAOYSA-N
XLogP3.49
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 53.49
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 2-chloro-4-(furan-2-yl)-6-methylaniline?
The IUPAC name of 2-chloro-4-(furan-2-yl)-6-methylaniline (CID 75176223) is 2-chloro-4-(furan-2-yl)-6-methylaniline.
What is the SMILES notation for 2-chloro-4-(furan-2-yl)-6-methylaniline?
The canonical SMILES for 2-chloro-4-(furan-2-yl)-6-methylaniline is Cc1cc(-c2ccco2)cc(Cl)c1N.
What is the InChIKey of 2-chloro-4-(furan-2-yl)-6-methylaniline?
The InChIKey is ZLQKVDPPLCOKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-7-5-8(6-9(12)11(7)13)10-3-2-4-14-10/h2-6H,13H2,1H3.
What are the key properties of 2-chloro-4-(furan-2-yl)-6-methylaniline?
2-chloro-4-(furan-2-yl)-6-methylaniline has a molecular weight of 207.66 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(furan-2-yl)-6-methylaniline is sourced from PubChem (CID 75176223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).