4-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-fluoroaniline

C15H13ClFNS — CID 79221543

IUPAC4-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-fluoroaniline
SMILESFc1cc(NCC2CSc3ccccc32)ccc1Cl
InChIInChI=1S/C15H13ClFNS/c16-13-6-5-11(7-14(13)17)18-8-10-9-19-15-4-2-1-3-12(10)15/h1-7,10,18H,8-9H2
InChIKeyUVWVNAUUKQJYDW-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.78
Rot. Bonds3

About 4-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-fluoroaniline

4-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-fluoroaniline (PubChem CID 79221543) has the molecular formula C15H13ClFNS and a molecular weight of 293.79 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-fluoroaniline
PubChem CID79221543
Molecular FormulaC15H13ClFNS
Molecular Weight293.79 g/mol
Exact Mass293.04
IUPAC Name4-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-fluoroaniline
SMILESFc1cc(NCC2CSc3ccccc32)ccc1Cl
InChIInChI=1S/C15H13ClFNS/c16-13-6-5-11(7-14(13)17)18-8-10-9-19-15-4-2-1-3-12(10)15/h1-7,10,18H,8-9H2
InChIKeyUVWVNAUUKQJYDW-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methoxyaniline
CID 107621394
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-chloro-3-fluoroaniline
CID 66419291
5-bromo-2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)aniline
CID 79220622
4-bromo-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,6-difluoroaniline
CID 79221398
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline
CID 79220930
2-(chloromethyl)-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)aniline
CID 79225982
N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 79220853
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine
CID 79224724
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
CID 79212606
1-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-fluoroisoquinoline-1,6-diamine
CID 167828832
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine
CID 79220613
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine
CID 115406592

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-fluoroaniline?
The IUPAC name of 4-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-fluoroaniline (CID 79221543) is 4-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-fluoroaniline.
What is the SMILES notation for 4-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-fluoroaniline?
The canonical SMILES for 4-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-fluoroaniline is Fc1cc(NCC2CSc3ccccc32)ccc1Cl.
What is the InChIKey of 4-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-fluoroaniline?
The InChIKey is UVWVNAUUKQJYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNS/c16-13-6-5-11(7-14(13)17)18-8-10-9-19-15-4-2-1-3-12(10)15/h1-7,10,18H,8-9H2.
What are the key properties of 4-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-fluoroaniline?
4-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-fluoroaniline has a molecular weight of 293.79 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-fluoroaniline is sourced from PubChem (CID 79221543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).