2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine

C16H20FNO — CID 79439686

IUPAC2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccco1)c1ccccc1F
InChIInChI=1S/C16H20FNO/c1-12(2)18-11-13(10-14-6-5-9-19-14)15-7-3-4-8-16(15)17/h3-9,12-13,18H,10-11H2,1-2H3
InChIKeyPVAZABWAPZQFMO-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.74
Rot. Bonds6

About 2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine

2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 79439686) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine
PubChem CID79439686
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccco1)c1ccccc1F
InChIInChI=1S/C16H20FNO/c1-12(2)18-11-13(10-14-6-5-9-19-14)15-7-3-4-8-16(15)17/h3-9,12-13,18H,10-11H2,1-2H3
InChIKeyPVAZABWAPZQFMO-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 79434390
1-(2-fluorophenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515502
3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79416571
2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 79439524
3-(furan-2-yl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 79420846
2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 62998125
N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 103924689
N-[3-(furan-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79421182
N-ethyl-1-(2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105119317
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029261
N-[2-(2-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
CID 79448849
5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 79434387

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine (CID 79439686) is 2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1ccco1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is PVAZABWAPZQFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-12(2)18-11-13(10-14-6-5-9-19-14)15-7-3-4-8-16(15)17/h3-9,12-13,18H,10-11H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine?
2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79439686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).