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

C14H14Cl2FNO — CID 107577112

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

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

1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine (PubChem CID 107577112) 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-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
PubChem CID107577112
Molecular FormulaC14H14Cl2FNO
Molecular Weight302.18 g/mol
Exact Mass301.04
IUPAC Name1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2cc(Cl)c(F)c(Cl)c2)o1
InChIInChI=1S/C14H14Cl2FNO/c1-3-11(18-2)13-5-4-12(19-13)8-6-9(15)14(17)10(16)7-8/h4-7,11,18H,3H2,1-2H3
InChIKeyOADBFAPNYJHVDZ-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'}

Analyze 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine (CID 107577112) is 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine is CCC(NC)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-methylpropan-1-amine?
The InChIKey is OADBFAPNYJHVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FNO/c1-3-11(18-2)13-5-4-12(19-13)8-6-9(15)14(17)10(16)7-8/h4-7,11,18H,3H2,1-2H3.
What are the key properties of 1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine?
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine 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-methylpropan-1-amine is sourced from PubChem (CID 107577112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).