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

C15H16Cl2FNO — CID 107577105

IUPAC1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(-c2cc(Cl)c(F)c(Cl)c2)o1
InChIInChI=1S/C15H16Cl2FNO/c1-3-19-9(2)6-11-4-5-14(20-11)10-7-12(16)15(18)13(17)8-10/h4-5,7-9,19H,3,6H2,1-2H3
InChIKeyPIPSRHNKYNBRTC-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.93
Rot. Bonds5

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

1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine (PubChem CID 107577105) has the molecular formula C15H16Cl2FNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
PubChem CID107577105
Molecular FormulaC15H16Cl2FNO
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(-c2cc(Cl)c(F)c(Cl)c2)o1
InChIInChI=1S/C15H16Cl2FNO/c1-3-19-9(2)6-11-4-5-14(20-11)10-7-12(16)15(18)13(17)8-10/h4-5,7-9,19H,3,6H2,1-2H3
InChIKeyPIPSRHNKYNBRTC-UHFFFAOYSA-N
XLogP4.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.93
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-ethylethanamine
CID 107577103
1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 63084110
N-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine
CID 107645719
N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine
CID 63398766
N-ethyl-1-(5-quinoxalin-6-ylfuran-2-yl)propan-2-amine
CID 63086160
1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 107615184
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107626829
1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107615154
(2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine
CID 8637675
1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 63399061
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 107577112
N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 107577110

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The IUPAC name of 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine (CID 107577105) is 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine.
What is the SMILES notation for 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The canonical SMILES for 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine is CCNC(C)Cc1ccc(-c2cc(Cl)c(F)c(Cl)c2)o1.
What is the InChIKey of 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The InChIKey is PIPSRHNKYNBRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2FNO/c1-3-19-9(2)6-11-4-5-14(20-11)10-7-12(16)15(18)13(17)8-10/h4-5,7-9,19H,3,6H2,1-2H3.
What are the key properties of 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine has a molecular weight of 316.20 g/mol, XLogP of 4.93, 5 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-ethylpropan-2-amine is sourced from PubChem (CID 107577105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).