1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine

C18H18FNO — CID 43093690

IUPAC1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C18H18FNO/c1-13(18-12-15-4-2-3-5-17(15)21-18)20-11-10-14-6-8-16(19)9-7-14/h2-9,12-13,20H,10-11H2,1H3
InChIKeyKFJNNSDZDIJYKC-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.47
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine

1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine (PubChem CID 43093690) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
PubChem CID43093690
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C18H18FNO/c1-13(18-12-15-4-2-3-5-17(15)21-18)20-11-10-14-6-8-16(19)9-7-14/h2-9,12-13,20H,10-11H2,1H3
InChIKeyKFJNNSDZDIJYKC-UHFFFAOYSA-N
XLogP4.47
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106396498
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
1-(1-benzofuran-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63831691
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102978076
1-(1-benzofuran-2-yl)-N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 105401275
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 97231371
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid
CID 103231980
1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 115761517

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine (CID 43093690) is 1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine is CC(NCCc1ccc(F)cc1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine?
The InChIKey is KFJNNSDZDIJYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-13(18-12-15-4-2-3-5-17(15)21-18)20-11-10-14-6-8-16(19)9-7-14/h2-9,12-13,20H,10-11H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine?
1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine has a molecular weight of 283.35 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 43093690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).