N-[1-(4-bromophenyl)ethyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C15H15BrClNS — CID 81251736

IUPACN-[1-(4-bromophenyl)ethyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCC(NC1CCc2sc(Cl)cc21)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrClNS/c1-9(10-2-4-11(16)5-3-10)18-13-6-7-14-12(13)8-15(17)19-14/h2-5,8-9,13,18H,6-7H2,1H3
InChIKeyFBOIYMVIRJPVFI-UHFFFAOYSA-N
MW356.72 g/mol
LogP5.50
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

N-[1-(4-bromophenyl)ethyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81251736) has the molecular formula C15H15BrClNS and a molecular weight of 356.72 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81251736
Molecular FormulaC15H15BrClNS
Molecular Weight356.72 g/mol
Exact Mass354.98
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCC(NC1CCc2sc(Cl)cc21)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrClNS/c1-9(10-2-4-11(16)5-3-10)18-13-6-7-14-12(13)8-15(17)19-14/h2-5,8-9,13,18H,6-7H2,1H3
InChIKeyFBOIYMVIRJPVFI-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.72
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687400
2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82010747
2-chloro-N-(1-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686741
4-[1-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]ethyl]benzonitrile
CID 82686782
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252386
2-chloro-N-[1-(3-nitrophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81235906
2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687127
2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251839
N-(4-bromo-2-chlorophenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251718
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82010853
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
2-chloro-N-(1-cyclopropylbutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251862

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81251736) is N-[1-(4-bromophenyl)ethyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is CC(NC1CCc2sc(Cl)cc21)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is FBOIYMVIRJPVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNS/c1-9(10-2-4-11(16)5-3-10)18-13-6-7-14-12(13)8-15(17)19-14/h2-5,8-9,13,18H,6-7H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
N-[1-(4-bromophenyl)ethyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 356.72 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81251736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).