2-(5-chlorofuran-2-yl)-1-phenylethanamine

C12H12ClNO — CID 62758366

IUPAC2-(5-chlorofuran-2-yl)-1-phenylethanamine
SMILESNC(Cc1ccc(Cl)o1)c1ccccc1
InChIInChI=1S/C12H12ClNO/c13-12-7-6-10(15-12)8-11(14)9-4-2-1-3-5-9/h1-7,11H,8,14H2
InChIKeyBYCSXBGROQDOTA-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.18
Rot. Bonds3

About 2-(5-chlorofuran-2-yl)-1-phenylethanamine

2-(5-chlorofuran-2-yl)-1-phenylethanamine (PubChem CID 62758366) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-(5-chlorofuran-2-yl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(5-chlorofuran-2-yl)-1-phenylethanamine
PubChem CID62758366
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name2-(5-chlorofuran-2-yl)-1-phenylethanamine
SMILESNC(Cc1ccc(Cl)o1)c1ccccc1
InChIInChI=1S/C12H12ClNO/c13-12-7-6-10(15-12)8-11(14)9-4-2-1-3-5-9/h1-7,11H,8,14H2
InChIKeyBYCSXBGROQDOTA-UHFFFAOYSA-N
XLogP3.18
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorofuran-2-yl)-1-phenylethanamine?
The IUPAC name of 2-(5-chlorofuran-2-yl)-1-phenylethanamine (CID 62758366) is 2-(5-chlorofuran-2-yl)-1-phenylethanamine.
What is the SMILES notation for 2-(5-chlorofuran-2-yl)-1-phenylethanamine?
The canonical SMILES for 2-(5-chlorofuran-2-yl)-1-phenylethanamine is NC(Cc1ccc(Cl)o1)c1ccccc1.
What is the InChIKey of 2-(5-chlorofuran-2-yl)-1-phenylethanamine?
The InChIKey is BYCSXBGROQDOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c13-12-7-6-10(15-12)8-11(14)9-4-2-1-3-5-9/h1-7,11H,8,14H2.
What are the key properties of 2-(5-chlorofuran-2-yl)-1-phenylethanamine?
2-(5-chlorofuran-2-yl)-1-phenylethanamine has a molecular weight of 221.69 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorofuran-2-yl)-1-phenylethanamine is sourced from PubChem (CID 62758366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).