1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine

C15H18F2N2O — CID 61423699

IUPAC1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(Cc1ccco1)C(CN)c1c(F)cccc1F
InChIInChI=1S/C15H18F2N2O/c1-2-19(10-11-5-4-8-20-11)14(9-18)15-12(16)6-3-7-13(15)17/h3-8,14H,2,9-10,18H2,1H3
InChIKeyPBPUWJZRTUXZRO-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.08
Rot. Bonds6

About 1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine

1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 61423699) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
PubChem CID61423699
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(Cc1ccco1)C(CN)c1c(F)cccc1F
InChIInChI=1S/C15H18F2N2O/c1-2-19(10-11-5-4-8-20-11)14(9-18)15-12(16)6-3-7-13(15)17/h3-8,14H,2,9-10,18H2,1H3
InChIKeyPBPUWJZRTUXZRO-UHFFFAOYSA-N
XLogP3.08
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
CID 43126021
2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691
2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline
CID 63369519
2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61423061
N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 43126039
1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine
CID 114842877
4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine
CID 103391763
4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 61423197
2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide
CID 63579097
1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol
CID 43527064
2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569627
N-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 61423393

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine (CID 61423699) is 1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine is CCN(Cc1ccco1)C(CN)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is PBPUWJZRTUXZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-2-19(10-11-5-4-8-20-11)14(9-18)15-12(16)6-3-7-13(15)17/h3-8,14H,2,9-10,18H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine?
1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 280.32 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61423699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).