N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine

C9H13Cl2NS — CID 43497740

IUPACN-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H13Cl2NS/c1-3-4-12-6(2)7-5-8(10)13-9(7)11/h5-6,12H,3-4H2,1-2H3
InChIKeyDCTZXYJSIUHADY-UHFFFAOYSA-N
MW238.18 g/mol
LogP4.12
Rot. Bonds4

About N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine

N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine (PubChem CID 43497740) has the molecular formula C9H13Cl2NS and a molecular weight of 238.18 g/mol. Its IUPAC name is N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
PubChem CID43497740
Molecular FormulaC9H13Cl2NS
Molecular Weight238.18 g/mol
Exact Mass237.01
IUPAC NameN-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H13Cl2NS/c1-3-4-12-6(2)7-5-8(10)13-9(7)11/h5-6,12H,3-4H2,1-2H3
InChIKeyDCTZXYJSIUHADY-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine
CID 115709946
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methylsulfanylbutan-1-amine
CID 115716103
1-(2,5-dichlorothiophen-3-yl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720708
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 103787665
1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine
CID 43497732
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 113348956
1-(2,5-dichlorothiophen-3-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 113262767
N-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497805
N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 43497750
N-[(2,5-dichlorothiophen-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 107968400
N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497808

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine (CID 43497740) is N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine is CCCNC(C)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine?
The InChIKey is DCTZXYJSIUHADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NS/c1-3-4-12-6(2)7-5-8(10)13-9(7)11/h5-6,12H,3-4H2,1-2H3.
What are the key properties of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine?
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine has a molecular weight of 238.18 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43497740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).