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

C15H19FN2O — CID 62555893

IUPACN'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
SMILESCC(NCCN(C)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C15H19FN2O/c1-12(15-4-3-11-19-15)17-9-10-18(2)14-7-5-13(16)6-8-14/h3-8,11-12,17H,9-10H2,1-2H3
InChIKeyXTXLARMBCCBIJK-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.21
Rot. Bonds6

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

N'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 62555893) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
PubChem CID62555893
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
SMILESCC(NCCN(C)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C15H19FN2O/c1-12(15-4-3-11-19-15)17-9-10-18(2)14-7-5-13(16)6-8-14/h3-8,11-12,17H,9-10H2,1-2H3
InChIKeyXTXLARMBCCBIJK-UHFFFAOYSA-N
XLogP3.21
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 62557968
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'-cyclopentyl-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 55138698
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 62560272
N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 62575573
N'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
CID 63503917
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62556302
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55088903
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine (CID 62555893) is N'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine is CC(NCCN(C)c1ccc(F)cc1)c1ccco1.
What is the InChIKey of N'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is XTXLARMBCCBIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-12(15-4-3-11-19-15)17-9-10-18(2)14-7-5-13(16)6-8-14/h3-8,11-12,17H,9-10H2,1-2H3.
What are the key properties of N'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine?
N'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 262.33 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62555893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).