N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine

C15H16Cl3NO — CID 63398766

IUPACN-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine
SMILESCCNC(C)Cc1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1
InChIInChI=1S/C15H16Cl3NO/c1-3-19-9(2)6-10-4-5-15(20-10)11-7-13(17)14(18)8-12(11)16/h4-5,7-9,19H,3,6H2,1-2H3
InChIKeyJMMJITQATMKSFD-UHFFFAOYSA-N
MW332.66 g/mol
LogP5.45
Rot. Bonds5

About N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine

N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine (PubChem CID 63398766) has the molecular formula C15H16Cl3NO and a molecular weight of 332.66 g/mol. Its IUPAC name is N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine
PubChem CID63398766
Molecular FormulaC15H16Cl3NO
Molecular Weight332.66 g/mol
Exact Mass331.03
IUPAC NameN-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine
SMILESCCNC(C)Cc1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1
InChIInChI=1S/C15H16Cl3NO/c1-3-19-9(2)6-10-4-5-15(20-10)11-7-13(17)14(18)8-12(11)16/h4-5,7-9,19H,3,6H2,1-2H3
InChIKeyJMMJITQATMKSFD-UHFFFAOYSA-N
XLogP5.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.66
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 63084110
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107577105
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398553
N-ethyl-1-[5-(2-ethylphenyl)furan-2-yl]propan-2-amine
CID 63085626
1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107615154
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107626829
N-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine
CID 107645719
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084440
1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 107626763
1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 63399061
1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63086331
1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 81274606

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine?
The IUPAC name of N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine (CID 63398766) is N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine?
The canonical SMILES for N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine is CCNC(C)Cc1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1.
What is the InChIKey of N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine?
The InChIKey is JMMJITQATMKSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl3NO/c1-3-19-9(2)6-10-4-5-15(20-10)11-7-13(17)14(18)8-12(11)16/h4-5,7-9,19H,3,6H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine?
N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine has a molecular weight of 332.66 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine is sourced from PubChem (CID 63398766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).