N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine

C16H20FNO — CID 43478774

IUPACN-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H20FNO/c1-13(4-9-16-3-2-12-19-16)18-11-10-14-5-7-15(17)8-6-14/h2-3,5-8,12-13,18H,4,9-11H2,1H3
InChIKeyQTGAPJXXPSTVNS-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.57
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine

N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 43478774) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
PubChem CID43478774
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H20FNO/c1-13(4-9-16-3-2-12-19-16)18-11-10-14-5-7-15(17)8-6-14/h2-3,5-8,12-13,18H,4,9-11H2,1H3
InChIKeyQTGAPJXXPSTVNS-UHFFFAOYSA-N
XLogP3.57
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine (CID 43478774) is N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine is CC(CCc1ccco1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is QTGAPJXXPSTVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-13(4-9-16-3-2-12-19-16)18-11-10-14-5-7-15(17)8-6-14/h2-3,5-8,12-13,18H,4,9-11H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine?
N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 261.34 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 43478774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).