1-(2,5-dichlorothiophen-3-yl)octan-1-amine

C12H19Cl2NS — CID 43167354

IUPAC1-(2,5-dichlorothiophen-3-yl)octan-1-amine
SMILESCCCCCCCC(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H19Cl2NS/c1-2-3-4-5-6-7-10(15)9-8-11(13)16-12(9)14/h8,10H,2-7,15H2,1H3
InChIKeyMQUIGRISMBZOLM-UHFFFAOYSA-N
MW280.26 g/mol
LogP5.42
Rot. Bonds7

About 1-(2,5-dichlorothiophen-3-yl)octan-1-amine

1-(2,5-dichlorothiophen-3-yl)octan-1-amine (PubChem CID 43167354) has the molecular formula C12H19Cl2NS and a molecular weight of 280.26 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)octan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)octan-1-amine
PubChem CID43167354
Molecular FormulaC12H19Cl2NS
Molecular Weight280.26 g/mol
Exact Mass279.06
IUPAC Name1-(2,5-dichlorothiophen-3-yl)octan-1-amine
SMILESCCCCCCCC(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H19Cl2NS/c1-2-3-4-5-6-7-10(15)9-8-11(13)16-12(9)14/h8,10H,2-7,15H2,1H3
InChIKeyMQUIGRISMBZOLM-UHFFFAOYSA-N
XLogP5.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.26
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine
CID 82758613
1-(2,5-dichlorothiophen-3-yl)-4,4-dimethylpentan-1-amine
CID 107968221
5-amino-5-(2,5-dichlorothiophen-3-yl)pentanamide
CID 60860350
1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine
CID 114874213
1-(5-chloro-4-methylthiophen-2-yl)dodecan-1-amine
CID 102763389
1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methylpentan-1-amine
CID 107969416
(1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride
CID 171220112
1-(2,5-dibromothiophen-3-yl)decan-1-amine
CID 65447630
1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine
CID 43497732
1-(2,3-dichlorophenyl)undecan-1-amine
CID 115846022
3-(1-bromo-2-propylpentyl)-2,5-dichlorothiophene
CID 82987916
(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
CID 171202085

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)octan-1-amine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)octan-1-amine (CID 43167354) is 1-(2,5-dichlorothiophen-3-yl)octan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)octan-1-amine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)octan-1-amine is CCCCCCCC(N)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)octan-1-amine?
The InChIKey is MQUIGRISMBZOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2NS/c1-2-3-4-5-6-7-10(15)9-8-11(13)16-12(9)14/h8,10H,2-7,15H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)octan-1-amine?
1-(2,5-dichlorothiophen-3-yl)octan-1-amine has a molecular weight of 280.26 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)octan-1-amine is sourced from PubChem (CID 43167354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).