N'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

C14H18Cl2N2OS — CID 103775834

IUPACN'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCC(NCC(c1ccco1)N(C)C)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H18Cl2N2OS/c1-9(10-7-13(15)20-14(10)16)17-8-11(18(2)3)12-5-4-6-19-12/h4-7,9,11,17H,8H2,1-3H3
InChIKeyMIMMGYAVRCWMRG-UHFFFAOYSA-N
MW333.28 g/mol
LogP4.60
Rot. Bonds6

About N'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

N'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 103775834) has the molecular formula C14H18Cl2N2OS and a molecular weight of 333.28 g/mol. Its IUPAC name is N'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID103775834
Molecular FormulaC14H18Cl2N2OS
Molecular Weight333.28 g/mol
Exact Mass332.05
IUPAC NameN'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCC(NCC(c1ccco1)N(C)C)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H18Cl2N2OS/c1-9(10-7-13(15)20-14(10)16)17-8-11(18(2)3)12-5-4-6-19-12/h4-7,9,11,17H,8H2,1-3H3
InChIKeyMIMMGYAVRCWMRG-UHFFFAOYSA-N
XLogP4.60
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[1-(2,4-dichlorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43093421
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
N'-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202391
N'-[1-(3-fluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202397
N'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202354
1-(furan-2-yl)-N'-[1-(3-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202378
1-(furan-2-yl)-N'-[1-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202375
N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201793
N'-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 81251400
1-(2,5-dichlorothiophen-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 103777773
N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 114082698
N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 60789165

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (CID 103775834) is N'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is CC(NCC(c1ccco1)N(C)C)c1cc(Cl)sc1Cl.
What is the InChIKey of N'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is MIMMGYAVRCWMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2OS/c1-9(10-7-13(15)20-14(10)16)17-8-11(18(2)3)12-5-4-6-19-12/h4-7,9,11,17H,8H2,1-3H3.
What are the key properties of N'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
N'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 333.28 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 103775834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).