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

C11H15Cl2NOS — CID 104584504

IUPACN-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NC(C)c2cc(Cl)sc2Cl)C1
InChIInChI=1S/C11H15Cl2NOS/c1-6(9-5-10(12)16-11(9)13)14-7-3-8(4-7)15-2/h5-8,14H,3-4H2,1-2H3
InChIKeyMDCZOEJSNIXFHD-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.88
Rot. Bonds4

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

N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine (PubChem CID 104584504) has the molecular formula C11H15Cl2NOS and a molecular weight of 280.22 g/mol. Its IUPAC name is N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine
PubChem CID104584504
Molecular FormulaC11H15Cl2NOS
Molecular Weight280.22 g/mol
Exact Mass279.03
IUPAC NameN-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NC(C)c2cc(Cl)sc2Cl)C1
InChIInChI=1S/C11H15Cl2NOS/c1-6(9-5-10(12)16-11(9)13)14-7-3-8(4-7)15-2/h5-8,14H,3-4H2,1-2H3
InChIKeyMDCZOEJSNIXFHD-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 103786746
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584449
N-[1-(3,4-dichlorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429583
2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol
CID 104584456
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429585
N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429569
3-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 104871887
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584469
N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584402
3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 106821544
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine?
The IUPAC name of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine (CID 104584504) is N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine is COC1CC(NC(C)c2cc(Cl)sc2Cl)C1.
What is the InChIKey of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine?
The InChIKey is MDCZOEJSNIXFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NOS/c1-6(9-5-10(12)16-11(9)13)14-7-3-8(4-7)15-2/h5-8,14H,3-4H2,1-2H3.
What are the key properties of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine?
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine has a molecular weight of 280.22 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 104584504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).