N-[[5-(4-chlorophenyl)furan-2-yl]methyl]ethanamine

C13H14ClNO — CID 4723607

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H14ClNO/c1-2-15-9-12-7-8-13(16-12)10-3-5-11(14)6-4-10/h3-8,15H,2,9H2,1H3
InChIKeyYYYLGDSBLBDEIY-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.71
Rot. Bonds4

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]ethanamine

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]ethanamine (PubChem CID 4723607) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]ethanamine
PubChem CID4723607
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H14ClNO/c1-2-15-9-12-7-8-13(16-12)10-3-5-11(14)6-4-10/h3-8,15H,2,9H2,1H3
InChIKeyYYYLGDSBLBDEIY-UHFFFAOYSA-N
XLogP3.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]ethanamine (CID 4723607) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]ethanamine is CCNCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is YYYLGDSBLBDEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-2-15-9-12-7-8-13(16-12)10-3-5-11(14)6-4-10/h3-8,15H,2,9H2,1H3.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]ethanamine?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 235.71 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 4723607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).