3-[5-(4-chlorophenyl)furan-2-yl]-N-methylprop-2-en-1-amine

C14H14ClNO — CID 79347441

IUPAC3-[5-(4-chlorophenyl)furan-2-yl]-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H14ClNO/c1-16-10-2-3-13-8-9-14(17-13)11-4-6-12(15)7-5-11/h2-9,16H,10H2,1H3
InChIKeyXHGZMTOBHZFEMK-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.83
Rot. Bonds4

About 3-[5-(4-chlorophenyl)furan-2-yl]-N-methylprop-2-en-1-amine

3-[5-(4-chlorophenyl)furan-2-yl]-N-methylprop-2-en-1-amine (PubChem CID 79347441) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)furan-2-yl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)furan-2-yl]-N-methylprop-2-en-1-amine
PubChem CID79347441
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name3-[5-(4-chlorophenyl)furan-2-yl]-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H14ClNO/c1-16-10-2-3-13-8-9-14(17-13)11-4-6-12(15)7-5-11/h2-9,16H,10H2,1H3
InChIKeyXHGZMTOBHZFEMK-UHFFFAOYSA-N
XLogP3.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)furan-2-yl]-N-methylprop-2-en-1-amine?
The IUPAC name of 3-[5-(4-chlorophenyl)furan-2-yl]-N-methylprop-2-en-1-amine (CID 79347441) is 3-[5-(4-chlorophenyl)furan-2-yl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-[5-(4-chlorophenyl)furan-2-yl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-[5-(4-chlorophenyl)furan-2-yl]-N-methylprop-2-en-1-amine is CNCC=Cc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 3-[5-(4-chlorophenyl)furan-2-yl]-N-methylprop-2-en-1-amine?
The InChIKey is XHGZMTOBHZFEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-16-10-2-3-13-8-9-14(17-13)11-4-6-12(15)7-5-11/h2-9,16H,10H2,1H3.
What are the key properties of 3-[5-(4-chlorophenyl)furan-2-yl]-N-methylprop-2-en-1-amine?
3-[5-(4-chlorophenyl)furan-2-yl]-N-methylprop-2-en-1-amine has a molecular weight of 247.72 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)furan-2-yl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 79347441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).