N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine

C15H23BrClNS — CID 102828748

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)c(Cl)s1)C1(CC)CCCC1
InChIInChI=1S/C15H23BrClNS/c1-3-9-18-13(12-10-11(16)14(17)19-12)15(4-2)7-5-6-8-15/h10,13,18H,3-9H2,1-2H3
InChIKeySZMYZMCONSNGNQ-UHFFFAOYSA-N
MW364.78 g/mol
LogP6.18
Rot. Bonds6

About N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine

N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine (PubChem CID 102828748) has the molecular formula C15H23BrClNS and a molecular weight of 364.78 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine
PubChem CID102828748
Molecular FormulaC15H23BrClNS
Molecular Weight364.78 g/mol
Exact Mass363.04
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)c(Cl)s1)C1(CC)CCCC1
InChIInChI=1S/C15H23BrClNS/c1-3-9-18-13(12-10-11(16)14(17)19-12)15(4-2)7-5-6-8-15/h10,13,18H,3-9H2,1-2H3
InChIKeySZMYZMCONSNGNQ-UHFFFAOYSA-N
XLogP6.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.78
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine
CID 102828514
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine
CID 102828032
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol
CID 130553458
1-(4-bromo-5-chlorothiophen-2-yl)-3-methyl-N-propylbutan-1-amine
CID 102828697
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethyl]propan-1-amine
CID 103163421
N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 102828861
N-[(4-bromo-5-chlorothiophen-2-yl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 102828676
N-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
CID 102763934
N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 102828702
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 102828787
N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 102828798
N-[(4-bromo-5-chlorothiophen-2-yl)-(2-bromo-4-fluorophenyl)methyl]propan-1-amine
CID 102828790

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine (CID 102828748) is N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine is CCCNC(c1cc(Br)c(Cl)s1)C1(CC)CCCC1.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine?
The InChIKey is SZMYZMCONSNGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrClNS/c1-3-9-18-13(12-10-11(16)14(17)19-12)15(4-2)7-5-6-8-15/h10,13,18H,3-9H2,1-2H3.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine?
N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine has a molecular weight of 364.78 g/mol, XLogP of 6.18, 6 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)-(1-ethylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 102828748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).