(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine

C12H17BrClNS — CID 102828032

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine
SMILESCCC1(C(N)c2cc(Br)c(Cl)s2)CCCC1
InChIInChI=1S/C12H17BrClNS/c1-2-12(5-3-4-6-12)10(15)9-7-8(13)11(14)16-9/h7,10H,2-6,15H2,1H3
InChIKeyUPWDPUUFFRYDTA-UHFFFAOYSA-N
MW322.70 g/mol
LogP5.13
Rot. Bonds3

About (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine

(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine (PubChem CID 102828032) has the molecular formula C12H17BrClNS and a molecular weight of 322.70 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine
PubChem CID102828032
Molecular FormulaC12H17BrClNS
Molecular Weight322.70 g/mol
Exact Mass321.00
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine
SMILESCCC1(C(N)c2cc(Br)c(Cl)s2)CCCC1
InChIInChI=1S/C12H17BrClNS/c1-2-12(5-3-4-6-12)10(15)9-7-8(13)11(14)16-9/h7,10H,2-6,15H2,1H3
InChIKeyUPWDPUUFFRYDTA-UHFFFAOYSA-N
XLogP5.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.70
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine with MolForge

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Related Compounds

N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine
CID 102828514
N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine
CID 102828748
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol
CID 130553458
ethyl 2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclopentyl]acetate
CID 102828971
[1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 130513429
[1-(aminomethyl)-3-methylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102845386
(2,5-dichlorothiophen-3-yl)-(1-ethylcyclopropyl)methanamine
CID 130553124
2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide
CID 102828964
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 102839181
3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene
CID 131002567
2-(4-bromo-5-chlorothiophen-2-yl)-2-(3,3-diethylpyrrolidin-1-yl)ethanamine
CID 102839732
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102845379

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine (CID 102828032) is (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine is CCC1(C(N)c2cc(Br)c(Cl)s2)CCCC1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine?
The InChIKey is UPWDPUUFFRYDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNS/c1-2-12(5-3-4-6-12)10(15)9-7-8(13)11(14)16-9/h7,10H,2-6,15H2,1H3.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine?
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine has a molecular weight of 322.70 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine is sourced from PubChem (CID 102828032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).