N-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine

C17H23IN2O — CID 43768406

IUPACN-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccccc1CNCc1ccc(I)o1
InChIInChI=1S/C17H23IN2O/c1-3-20(4-2)13-15-8-6-5-7-14(15)11-19-12-16-9-10-17(18)21-16/h5-10,19H,3-4,11-13H2,1-2H3
InChIKeyLZVGKNZJFMYSJY-UHFFFAOYSA-N
MW398.29 g/mol
LogP4.02
Rot. Bonds8

About N-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine

N-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine (PubChem CID 43768406) has the molecular formula C17H23IN2O and a molecular weight of 398.29 g/mol. Its IUPAC name is N-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine
PubChem CID43768406
Molecular FormulaC17H23IN2O
Molecular Weight398.29 g/mol
Exact Mass398.09
IUPAC NameN-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccccc1CNCc1ccc(I)o1
InChIInChI=1S/C17H23IN2O/c1-3-20(4-2)13-15-8-6-5-7-14(15)11-19-12-16-9-10-17(18)21-16/h5-10,19H,3-4,11-13H2,1-2H3
InChIKeyLZVGKNZJFMYSJY-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine with MolForge

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Related Compounds

N',N'-diethyl-N-[(5-iodofuran-2-yl)methyl]propane-1,3-diamine
CID 43763160
N-[[2-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine
CID 60697087
N-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine
CID 61324923
N-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79763223
N-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine
CID 28879716
N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine
CID 43758958
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine
CID 62422900
N'-tert-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]ethane-1,2-diamine
CID 107444667
[5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol
CID 64580557
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62421624
2-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]aniline
CID 83962689
2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 43346662

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine (CID 43768406) is N-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine is CCN(CC)Cc1ccccc1CNCc1ccc(I)o1.
What is the InChIKey of N-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine?
The InChIKey is LZVGKNZJFMYSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23IN2O/c1-3-20(4-2)13-15-8-6-5-7-14(15)11-19-12-16-9-10-17(18)21-16/h5-10,19H,3-4,11-13H2,1-2H3.
What are the key properties of N-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine?
N-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine has a molecular weight of 398.29 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 43768406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).