N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline

C16H14FNO — CID 43194276

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline
SMILESCC(Nc1cccc(F)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H14FNO/c1-11(18-14-7-4-6-13(17)10-14)16-9-12-5-2-3-8-15(12)19-16/h2-11,18H,1H3
InChIKeySJTQUOAXHMQNCU-UHFFFAOYSA-N
MW255.29 g/mol
LogP4.74
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline

N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline (PubChem CID 43194276) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline
PubChem CID43194276
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline
SMILESCC(Nc1cccc(F)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H14FNO/c1-11(18-14-7-4-6-13(17)10-14)16-9-12-5-2-3-8-15(12)19-16/h2-11,18H,1H3
InChIKeySJTQUOAXHMQNCU-UHFFFAOYSA-N
XLogP4.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81353159
N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 43205961
2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile
CID 43722234
3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43099199
4-[1-(1-benzofuran-2-yl)ethylamino]-3-fluorobenzonitrile
CID 78980854
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline
CID 43102235
1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43093690
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 18088031
[2-[1-(1-benzofuran-2-yl)ethylamino]phenyl]methanol
CID 43743209
N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline
CID 43683127
N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline
CID 43122562
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline (CID 43194276) is N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline is CC(Nc1cccc(F)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline?
The InChIKey is SJTQUOAXHMQNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-11(18-14-7-4-6-13(17)10-14)16-9-12-5-2-3-8-15(12)19-16/h2-11,18H,1H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline?
N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline has a molecular weight of 255.29 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline is sourced from PubChem (CID 43194276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).