N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine

C17H15ClFNS — CID 105099912

IUPACN-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2cc(F)ccc2s1)c1ccccc1Cl
InChIInChI=1S/C17H15ClFNS/c1-2-20-17(13-5-3-4-6-14(13)18)16-10-11-9-12(19)7-8-15(11)21-16/h3-10,17,20H,2H2,1H3
InChIKeyQKSRVBVJIPBNEI-UHFFFAOYSA-N
MW319.83 g/mol
LogP5.39
Rot. Bonds4

About N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine

N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine (PubChem CID 105099912) has the molecular formula C17H15ClFNS and a molecular weight of 319.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
PubChem CID105099912
Molecular FormulaC17H15ClFNS
Molecular Weight319.83 g/mol
Exact Mass319.06
IUPAC NameN-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc2cc(F)ccc2s1)c1ccccc1Cl
InChIInChI=1S/C17H15ClFNS/c1-2-20-17(13-5-3-4-6-14(13)18)16-10-11-9-12(19)7-8-15(11)21-16/h3-10,17,20H,2H2,1H3
InChIKeyQKSRVBVJIPBNEI-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.83
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851962
1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 115801543
N-[1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 63507972
1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105396900
N-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878377
N-[1-benzothiophen-2-yl-(5-bromo-4-chlorothiophen-2-yl)methyl]ethanamine
CID 80531171
1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093655
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250
2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 105096573
N-[(5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 105104722
N-[(2-chloro-4,5-difluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 107476507
N-[(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 115801146

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine (CID 105099912) is N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine is CCNC(c1cc2cc(F)ccc2s1)c1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine?
The InChIKey is QKSRVBVJIPBNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNS/c1-2-20-17(13-5-3-4-6-14(13)18)16-10-11-9-12(19)7-8-15(11)21-16/h3-10,17,20H,2H2,1H3.
What are the key properties of N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine?
N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine has a molecular weight of 319.83 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 105099912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).