1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine

C14H16FNO — CID 61079810

IUPAC1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine
SMILESNC(CCc1ccco1)Cc1ccc(F)cc1
InChIInChI=1S/C14H16FNO/c15-12-5-3-11(4-6-12)10-13(16)7-8-14-2-1-9-17-14/h1-6,9,13H,7-8,10,16H2
InChIKeyFJIYXDLYXWVXEI-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.92
Rot. Bonds5

About 1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine

1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine (PubChem CID 61079810) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine
PubChem CID61079810
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine
SMILESNC(CCc1ccco1)Cc1ccc(F)cc1
InChIInChI=1S/C14H16FNO/c15-12-5-3-11(4-6-12)10-13(16)7-8-14-2-1-9-17-14/h1-6,9,13H,7-8,10,16H2
InChIKeyFJIYXDLYXWVXEI-UHFFFAOYSA-N
XLogP2.92
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine
CID 61077814
1,4-bis(furan-2-yl)butan-2-amine
CID 105177346
1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 102622645
1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61064838
6,6,6-trifluoro-1-(furan-2-yl)hexan-3-amine
CID 105156341
1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine
CID 55087006
1-(furan-2-yl)-5-thiophen-3-ylpentan-3-amine
CID 105147818
1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105092774
1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine
CID 105180938
2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide
CID 56819916
(3R)-1-(furan-2-yl)-4-methylpentan-3-amine
CID 94915074
N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105087868

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine (CID 61079810) is 1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine is NC(CCc1ccco1)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine?
The InChIKey is FJIYXDLYXWVXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c15-12-5-3-11(4-6-12)10-13(16)7-8-14-2-1-9-17-14/h1-6,9,13H,7-8,10,16H2.
What are the key properties of 1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine?
1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine has a molecular weight of 233.29 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 61079810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).