N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine

C17H23IN2O — CID 43758958

IUPACN,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNCc1ccc(I)o1)c1ccccc1
InChIInChI=1S/C17H23IN2O/c1-3-20(4-2)16(14-8-6-5-7-9-14)13-19-12-15-10-11-17(18)21-15/h5-11,16,19H,3-4,12-13H2,1-2H3
InChIKeyZLBVBUWMPQWRSY-UHFFFAOYSA-N
MW398.29 g/mol
LogP4.06
Rot. Bonds8

About N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine

N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine (PubChem CID 43758958) has the molecular formula C17H23IN2O and a molecular weight of 398.29 g/mol. Its IUPAC name is N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine
PubChem CID43758958
Molecular FormulaC17H23IN2O
Molecular Weight398.29 g/mol
Exact Mass398.09
IUPAC NameN,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNCc1ccc(I)o1)c1ccccc1
InChIInChI=1S/C17H23IN2O/c1-3-20(4-2)16(14-8-6-5-7-9-14)13-19-12-15-10-11-17(18)21-15/h5-11,16,19H,3-4,12-13H2,1-2H3
InChIKeyZLBVBUWMPQWRSY-UHFFFAOYSA-N
XLogP4.06
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine
CID 110826595
N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904166
2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine
CID 43788951
5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 115651465
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile
CID 43199335
N',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine
CID 43763160
N,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine
CID 78992240
3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol
CID 54940285
N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine
CID 55074782
N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine
CID 54935460
N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63736846

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine?
The IUPAC name of N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine (CID 43758958) is N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine is CCN(CC)C(CNCc1ccc(I)o1)c1ccccc1.
What is the InChIKey of N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine?
The InChIKey is ZLBVBUWMPQWRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23IN2O/c1-3-20(4-2)16(14-8-6-5-7-9-14)13-19-12-15-10-11-17(18)21-15/h5-11,16,19H,3-4,12-13H2,1-2H3.
What are the key properties of N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine?
N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine has a molecular weight of 398.29 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine is sourced from PubChem (CID 43758958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).