N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine

C16H21FN2O — CID 62557968

IUPACN'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
SMILESCC(NCCN(C)Cc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C16H21FN2O/c1-13(16-4-3-11-20-16)18-9-10-19(2)12-14-5-7-15(17)8-6-14/h3-8,11,13,18H,9-10,12H2,1-2H3
InChIKeyWOFGWRSAIODDTE-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.20
Rot. Bonds7

About N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine

N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 62557968) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
PubChem CID62557968
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC NameN'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
SMILESCC(NCCN(C)Cc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C16H21FN2O/c1-13(16-4-3-11-20-16)18-9-10-19(2)12-14-5-7-15(17)8-6-14/h3-8,11,13,18H,9-10,12H2,1-2H3
InChIKeyWOFGWRSAIODDTE-UHFFFAOYSA-N
XLogP3.20
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 62555893
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62560734
N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43178684
N-[1-(furan-2-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62557270
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62556302
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55088903
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 62573599
N'-cyclopentyl-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 55138698
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62413226
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60721044

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine (CID 62557968) is N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine is CC(NCCN(C)Cc1ccc(F)cc1)c1ccco1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is WOFGWRSAIODDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-13(16-4-3-11-20-16)18-9-10-19(2)12-14-5-7-15(17)8-6-14/h3-8,11,13,18H,9-10,12H2,1-2H3.
What are the key properties of N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine?
N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 276.36 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62557968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).