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

C16H20F2N2O — CID 43202391

IUPACN'-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCC(NCC(c1ccco1)N(C)C)c1cc(F)ccc1F
InChIInChI=1S/C16H20F2N2O/c1-11(13-9-12(17)6-7-14(13)18)19-10-15(20(2)3)16-5-4-8-21-16/h4-9,11,15,19H,10H2,1-3H3
InChIKeyKARXNVUWCAPUGG-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.51
Rot. Bonds6

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

N'-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 43202391) has the molecular formula C16H20F2N2O and a molecular weight of 294.35 g/mol. Its IUPAC name is N'-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID43202391
Molecular FormulaC16H20F2N2O
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC NameN'-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCC(NCC(c1ccco1)N(C)C)c1cc(F)ccc1F
InChIInChI=1S/C16H20F2N2O/c1-11(13-9-12(17)6-7-14(13)18)19-10-15(20(2)3)16-5-4-8-21-16/h4-9,11,15,19H,10H2,1-3H3
InChIKeyKARXNVUWCAPUGG-UHFFFAOYSA-N
XLogP3.51
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(3-fluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202397
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'-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43312684
N'-[1-(2,5-dichlorothiophen-3-yl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 103775834
N'-[(5-chloro-2-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 115761417
N'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202354
N'-[(2-chloro-4-fluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 103605184
(1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402970
1-(furan-2-yl)-N'-[1-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202375
N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 43693054
1-(furan-2-yl)-N'-[1-(3-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202378

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (CID 43202391) is N'-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is CC(NCC(c1ccco1)N(C)C)c1cc(F)ccc1F.
What is the InChIKey of N'-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is KARXNVUWCAPUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-11(13-9-12(17)6-7-14(13)18)19-10-15(20(2)3)16-5-4-8-21-16/h4-9,11,15,19H,10H2,1-3H3.
What are the key properties of N'-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
N'-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 294.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 43202391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).