N-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine

C15H16Cl3NO — CID 63398850

IUPACN-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C15H16Cl3NO/c1-3-6-19-9(2)13-4-5-14(20-13)15-11(17)7-10(16)8-12(15)18/h4-5,7-9,19H,3,6H2,1-2H3
InChIKeyKDJCYYUPDOOYBT-UHFFFAOYSA-N
MW332.66 g/mol
LogP5.97
Rot. Bonds5

About N-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine

N-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine (PubChem CID 63398850) has the molecular formula C15H16Cl3NO and a molecular weight of 332.66 g/mol. Its IUPAC name is N-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine
PubChem CID63398850
Molecular FormulaC15H16Cl3NO
Molecular Weight332.66 g/mol
Exact Mass331.03
IUPAC NameN-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C15H16Cl3NO/c1-3-6-19-9(2)13-4-5-14(20-13)15-11(17)7-10(16)8-12(15)18/h4-5,7-9,19H,3,6H2,1-2H3
InChIKeyKDJCYYUPDOOYBT-UHFFFAOYSA-N
XLogP5.97
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 ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[5-(2-chloro-4-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 63398504
1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine
CID 62499233
N-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 62499557
N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine
CID 62498898
1-[5-(4-bromo-2,6-dichlorophenyl)furan-2-yl]-N-methylethanamine
CID 55083769
N-[1-[5-(2-bromo-4-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 63398637
N-[1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 107577114
N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine
CID 63398755
N-[1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine
CID 63398964
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine
CID 107577103
1-[5-(2-chlorophenyl)furan-2-yl]-N-ethylethanamine
CID 62499057
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398553

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine (CID 63398850) is N-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1.
What is the InChIKey of N-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine?
The InChIKey is KDJCYYUPDOOYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl3NO/c1-3-6-19-9(2)13-4-5-14(20-13)15-11(17)7-10(16)8-12(15)18/h4-5,7-9,19H,3,6H2,1-2H3.
What are the key properties of N-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine?
N-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine has a molecular weight of 332.66 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63398850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).