2-chloro-3-(5-methylfuran-2-yl)aniline

C11H10ClNO — CID 130506634

IUPAC2-chloro-3-(5-methylfuran-2-yl)aniline
SMILESCc1ccc(-c2cccc(N)c2Cl)o1
InChIInChI=1S/C11H10ClNO/c1-7-5-6-10(14-7)8-3-2-4-9(13)11(8)12/h2-6H,13H2,1H3
InChIKeyLHANQRPCXWEJDG-UHFFFAOYSA-N
MW207.66 g/mol
LogP3.49
Rot. Bonds1

About 2-chloro-3-(5-methylfuran-2-yl)aniline

2-chloro-3-(5-methylfuran-2-yl)aniline (PubChem CID 130506634) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-chloro-3-(5-methylfuran-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-3-(5-methylfuran-2-yl)aniline
PubChem CID130506634
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name2-chloro-3-(5-methylfuran-2-yl)aniline
SMILESCc1ccc(-c2cccc(N)c2Cl)o1
InChIInChI=1S/C11H10ClNO/c1-7-5-6-10(14-7)8-3-2-4-9(13)11(8)12/h2-6H,13H2,1H3
InChIKeyLHANQRPCXWEJDG-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-3-(5-methylfuran-2-yl)aniline?
The IUPAC name of 2-chloro-3-(5-methylfuran-2-yl)aniline (CID 130506634) is 2-chloro-3-(5-methylfuran-2-yl)aniline.
What is the SMILES notation for 2-chloro-3-(5-methylfuran-2-yl)aniline?
The canonical SMILES for 2-chloro-3-(5-methylfuran-2-yl)aniline is Cc1ccc(-c2cccc(N)c2Cl)o1.
What is the InChIKey of 2-chloro-3-(5-methylfuran-2-yl)aniline?
The InChIKey is LHANQRPCXWEJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-7-5-6-10(14-7)8-3-2-4-9(13)11(8)12/h2-6H,13H2,1H3.
What are the key properties of 2-chloro-3-(5-methylfuran-2-yl)aniline?
2-chloro-3-(5-methylfuran-2-yl)aniline 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-3-(5-methylfuran-2-yl)aniline is sourced from PubChem (CID 130506634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).