1-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine

C16H20FNO — CID 63084588

IUPAC1-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H20FNO/c1-3-10-18-12(2)11-15-8-9-16(19-15)13-4-6-14(17)7-5-13/h4-9,12,18H,3,10-11H2,1-2H3
InChIKeyKRPQDOJYHFQISD-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.02
Rot. Bonds6

About 1-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine

1-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine (PubChem CID 63084588) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine
PubChem CID63084588
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name1-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H20FNO/c1-3-10-18-12(2)11-15-8-9-16(19-15)13-4-6-14(17)7-5-13/h4-9,12,18H,3,10-11H2,1-2H3
InChIKeyKRPQDOJYHFQISD-UHFFFAOYSA-N
XLogP4.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine?
The IUPAC name of 1-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine (CID 63084588) is 1-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine.
What is the SMILES notation for 1-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine?
The canonical SMILES for 1-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine is CCCNC(C)Cc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 1-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine?
The InChIKey is KRPQDOJYHFQISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-3-10-18-12(2)11-15-8-9-16(19-15)13-4-6-14(17)7-5-13/h4-9,12,18H,3,10-11H2,1-2H3.
What are the key properties of 1-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine?
1-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine has a molecular weight of 261.34 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine is sourced from PubChem (CID 63084588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).