4-chloro-N-(4-methoxyphenyl)furan-2-amine

C11H10ClNO2 — CID 141495769

IUPAC4-chloro-N-(4-methoxyphenyl)furan-2-amine
SMILESCOc1ccc(Nc2cc(Cl)co2)cc1
InChIInChI=1S/C11H10ClNO2/c1-14-10-4-2-9(3-5-10)13-11-6-8(12)7-15-11/h2-7,13H,1H3
InChIKeyPVAWDSDTOFMKBY-UHFFFAOYSA-N
MW223.66 g/mol
LogP3.69
Rot. Bonds3

About 4-chloro-N-(4-methoxyphenyl)furan-2-amine

4-chloro-N-(4-methoxyphenyl)furan-2-amine (PubChem CID 141495769) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxyphenyl)furan-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-methoxyphenyl)furan-2-amine
PubChem CID141495769
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name4-chloro-N-(4-methoxyphenyl)furan-2-amine
SMILESCOc1ccc(Nc2cc(Cl)co2)cc1
InChIInChI=1S/C11H10ClNO2/c1-14-10-4-2-9(3-5-10)13-11-6-8(12)7-15-11/h2-7,13H,1H3
InChIKeyPVAWDSDTOFMKBY-UHFFFAOYSA-N
XLogP3.69
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methoxyphenyl)furan-2-amine?
The IUPAC name of 4-chloro-N-(4-methoxyphenyl)furan-2-amine (CID 141495769) is 4-chloro-N-(4-methoxyphenyl)furan-2-amine.
What is the SMILES notation for 4-chloro-N-(4-methoxyphenyl)furan-2-amine?
The canonical SMILES for 4-chloro-N-(4-methoxyphenyl)furan-2-amine is COc1ccc(Nc2cc(Cl)co2)cc1.
What is the InChIKey of 4-chloro-N-(4-methoxyphenyl)furan-2-amine?
The InChIKey is PVAWDSDTOFMKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-14-10-4-2-9(3-5-10)13-11-6-8(12)7-15-11/h2-7,13H,1H3.
What are the key properties of 4-chloro-N-(4-methoxyphenyl)furan-2-amine?
4-chloro-N-(4-methoxyphenyl)furan-2-amine has a molecular weight of 223.66 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methoxyphenyl)furan-2-amine is sourced from PubChem (CID 141495769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).