N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine

C15H23Cl2NS — CID 65018310

IUPACN-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)sc1Cl)C1CCCCCCC1
InChIInChI=1S/C15H23Cl2NS/c1-2-18-14(12-10-13(16)19-15(12)17)11-8-6-4-3-5-7-9-11/h10-11,14,18H,2-9H2,1H3
InChIKeyQGEZZPXHDCPNOP-UHFFFAOYSA-N
MW320.33 g/mol
LogP6.07
Rot. Bonds4

About N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine

N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine (PubChem CID 65018310) has the molecular formula C15H23Cl2NS and a molecular weight of 320.33 g/mol. Its IUPAC name is N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
PubChem CID65018310
Molecular FormulaC15H23Cl2NS
Molecular Weight320.33 g/mol
Exact Mass319.09
IUPAC NameN-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)sc1Cl)C1CCCCCCC1
InChIInChI=1S/C15H23Cl2NS/c1-2-18-14(12-10-13(16)19-15(12)17)11-8-6-4-3-5-7-9-11/h10-11,14,18H,2-9H2,1H3
InChIKeyQGEZZPXHDCPNOP-UHFFFAOYSA-N
XLogP6.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.33
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493095
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497782
N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497808
N-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine
CID 107968322
N-[(2,5-dichlorothiophen-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 107968699
N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine
CID 63508833
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
CID 55195117
2,5-dichloro-3-[chloro(cyclooctyl)methyl]thiophene
CID 65022750
2,5-dichloro-3-[chloro(cycloheptyl)methyl]thiophene
CID 63436878
N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine
CID 102828558
N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 64712638

Frequently Asked Questions

What is the IUPAC name of N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine (CID 65018310) is N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine is CCNC(c1cc(Cl)sc1Cl)C1CCCCCCC1.
What is the InChIKey of N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine?
The InChIKey is QGEZZPXHDCPNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NS/c1-2-18-14(12-10-13(16)19-15(12)17)11-8-6-4-3-5-7-9-11/h10-11,14,18H,2-9H2,1H3.
What are the key properties of N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine?
N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine has a molecular weight of 320.33 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 65018310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).