N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine

C12H17BrClNS — CID 102828558

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine
SMILESCCNC(c1cc(Br)c(Cl)s1)C1CCCC1
InChIInChI=1S/C12H17BrClNS/c1-2-15-11(8-5-3-4-6-8)10-7-9(13)12(14)16-10/h7-8,11,15H,2-6H2,1H3
InChIKeyHYNROYXTIQQEFX-UHFFFAOYSA-N
MW322.70 g/mol
LogP5.00
Rot. Bonds4

About N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine

N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine (PubChem CID 102828558) has the molecular formula C12H17BrClNS and a molecular weight of 322.70 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine
PubChem CID102828558
Molecular FormulaC12H17BrClNS
Molecular Weight322.70 g/mol
Exact Mass321.00
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine
SMILESCCNC(c1cc(Br)c(Cl)s1)C1CCCC1
InChIInChI=1S/C12H17BrClNS/c1-2-15-11(8-5-3-4-6-8)10-7-9(13)12(14)16-10/h7-8,11,15H,2-6H2,1H3
InChIKeyHYNROYXTIQQEFX-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.70
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine
CID 102763969
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 102828614
1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 102828573
N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 65018310
N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine
CID 63508833
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493095
N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 115778778
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 102828405
1-(7-bicyclo[4.1.0]heptanyl)-1-(4-bromo-5-chlorothiophen-2-yl)-N-methylmethanamine
CID 102828328
3-bromo-2-chloro-5-[chloro(cyclooctyl)methyl]thiophene
CID 102836286
3-bromo-5-[bromo(cyclooctyl)methyl]-2-chlorothiophene
CID 102836764
N-[cyclohexyl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 114981660

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine (CID 102828558) is N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine is CCNC(c1cc(Br)c(Cl)s1)C1CCCC1.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine?
The InChIKey is HYNROYXTIQQEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNS/c1-2-15-11(8-5-3-4-6-8)10-7-9(13)12(14)16-10/h7-8,11,15H,2-6H2,1H3.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine?
N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine has a molecular weight of 322.70 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine is sourced from PubChem (CID 102828558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).