1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine

C13H14ClNO — CID 62498077

IUPAC1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H14ClNO/c1-9(15-2)12-7-8-13(16-12)10-3-5-11(14)6-4-10/h3-9,15H,1-2H3
InChIKeyRFWPPURFEKOPLR-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.88
Rot. Bonds3

About 1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine

1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine (PubChem CID 62498077) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine
PubChem CID62498077
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H14ClNO/c1-9(15-2)12-7-8-13(16-12)10-3-5-11(14)6-4-10/h3-9,15H,1-2H3
InChIKeyRFWPPURFEKOPLR-UHFFFAOYSA-N
XLogP3.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine (CID 62498077) is 1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine is CNC(C)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine?
The InChIKey is RFWPPURFEKOPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-9(15-2)12-7-8-13(16-12)10-3-5-11(14)6-4-10/h3-9,15H,1-2H3.
What are the key properties of 1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine?
1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine has a molecular weight of 235.71 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine is sourced from PubChem (CID 62498077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).