1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine

C14H14Cl2FNO — CID 107577103

IUPAC1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2cc(Cl)c(F)c(Cl)c2)o1
InChIInChI=1S/C14H14Cl2FNO/c1-3-18-8(2)12-4-5-13(19-12)9-6-10(15)14(17)11(16)7-9/h4-8,18H,3H2,1-2H3
InChIKeyASAMBOROZYLZPE-UHFFFAOYSA-N
MW302.18 g/mol
LogP5.06
Rot. Bonds4

About 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine

1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine (PubChem CID 107577103) has the molecular formula C14H14Cl2FNO and a molecular weight of 302.18 g/mol. Its IUPAC name is 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine
PubChem CID107577103
Molecular FormulaC14H14Cl2FNO
Molecular Weight302.18 g/mol
Exact Mass301.04
IUPAC Name1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2cc(Cl)c(F)c(Cl)c2)o1
InChIInChI=1S/C14H14Cl2FNO/c1-3-18-8(2)12-4-5-13(19-12)9-6-10(15)14(17)11(16)7-9/h4-8,18H,3H2,1-2H3
InChIKeyASAMBOROZYLZPE-UHFFFAOYSA-N
XLogP5.06
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.18
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107577105
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 107577112
N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine
CID 62812039
1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine
CID 107577088
1-[5-(2-chlorophenyl)furan-2-yl]-N-ethylethanamine
CID 62499057
N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine
CID 62499724
1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine
CID 65489059
N-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine
CID 63399021
1-[5-(2-chloro-5-methoxyphenyl)furan-2-yl]-N-ethylethanamine
CID 62498910
N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine
CID 62498898
1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine
CID 55083630
N-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine
CID 63398850

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine (CID 107577103) is 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine is CCNC(C)c1ccc(-c2cc(Cl)c(F)c(Cl)c2)o1.
What is the InChIKey of 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine?
The InChIKey is ASAMBOROZYLZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FNO/c1-3-18-8(2)12-4-5-13(19-12)9-6-10(15)14(17)11(16)7-9/h4-8,18H,3H2,1-2H3.
What are the key properties of 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine?
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine has a molecular weight of 302.18 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine is sourced from PubChem (CID 107577103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).