2-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline

C16H15ClFNO — CID 65431418

IUPAC2-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline
SMILESFc1ccc(NCCc2ccc3c(c2)CCO3)c(Cl)c1
InChIInChI=1S/C16H15ClFNO/c17-14-10-13(18)2-3-15(14)19-7-5-11-1-4-16-12(9-11)6-8-20-16/h1-4,9-10,19H,5-8H2
InChIKeyRTLBTNKHPUBFGT-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.07
Rot. Bonds4

About 2-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline

2-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline (PubChem CID 65431418) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline
PubChem CID65431418
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name2-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline
SMILESFc1ccc(NCCc2ccc3c(c2)CCO3)c(Cl)c1
InChIInChI=1S/C16H15ClFNO/c17-14-10-13(18)2-3-15(14)19-7-5-11-1-4-16-12(9-11)6-8-20-16/h1-4,9-10,19H,5-8H2
InChIKeyRTLBTNKHPUBFGT-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline
CID 83078641
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-fluoro-2-methylaniline
CID 65431040
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,3,4-trifluoroaniline
CID 65430652
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,3,5-trifluoroaniline
CID 65447108
2,3-dichloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]aniline
CID 65431408
N-(2-chloro-4-fluorophenyl)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 51309755
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-4-methylaniline
CID 65431409
5-bromo-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,4-difluoroaniline
CID 102853334
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,6-difluoroaniline
CID 65429911
1-(2-chloro-4-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 65446250
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzodioxol-5-amine
CID 65431228
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
CID 43804025

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline?
The IUPAC name of 2-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline (CID 65431418) is 2-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline.
What is the SMILES notation for 2-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline?
The canonical SMILES for 2-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline is Fc1ccc(NCCc2ccc3c(c2)CCO3)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline?
The InChIKey is RTLBTNKHPUBFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c17-14-10-13(18)2-3-15(14)19-7-5-11-1-4-16-12(9-11)6-8-20-16/h1-4,9-10,19H,5-8H2.
What are the key properties of 2-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline?
2-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline has a molecular weight of 291.75 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 65431418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).