N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine

C15H15Cl3FNS — CID 43497746

IUPACN-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H15Cl3FNS/c1-2-6-20-13(10-8-14(17)21-15(10)18)7-9-11(16)4-3-5-12(9)19/h3-5,8,13,20H,2,6-7H2,1H3
InChIKeyFWOREIGYVPDUJM-UHFFFAOYSA-N
MW366.72 g/mol
LogP6.13
Rot. Bonds6

About N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine

N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine (PubChem CID 43497746) has the molecular formula C15H15Cl3FNS and a molecular weight of 366.72 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
PubChem CID43497746
Molecular FormulaC15H15Cl3FNS
Molecular Weight366.72 g/mol
Exact Mass365.00
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H15Cl3FNS/c1-2-6-20-13(10-8-14(17)21-15(10)18)7-9-11(16)4-3-5-12(9)19/h3-5,8,13,20H,2,6-7H2,1H3
InChIKeyFWOREIGYVPDUJM-UHFFFAOYSA-N
XLogP6.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.72
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43497800
N-[2-(4-chloro-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 107969557
2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 61083005
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 43494761
2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 43344854
N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 107968094
[2-(2,6-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
CID 107970147
N-[2-(2-chloro-6-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 63556149
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 80531060
N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 61079881
1-(2,5-dichlorothiophen-3-yl)-N-propylpentan-1-amine
CID 43497732
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 114650375

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine (CID 43497746) is N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine is CCCNC(Cc1c(F)cccc1Cl)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine?
The InChIKey is FWOREIGYVPDUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3FNS/c1-2-6-20-13(10-8-14(17)21-15(10)18)7-9-11(16)4-3-5-12(9)19/h3-5,8,13,20H,2,6-7H2,1H3.
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine?
N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine has a molecular weight of 366.72 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43497746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).