2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine

C17H22INO — CID 43788951

IUPAC2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine
SMILESCCC(CC)C(NCc1ccc(I)o1)c1ccccc1
InChIInChI=1S/C17H22INO/c1-3-13(4-2)17(14-8-6-5-7-9-14)19-12-15-10-11-16(18)20-15/h5-11,13,17,19H,3-4,12H2,1-2H3
InChIKeySUMGXTXSMXEEND-UHFFFAOYSA-N
MW383.27 g/mol
LogP5.15
Rot. Bonds7

About 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine

2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine (PubChem CID 43788951) has the molecular formula C17H22INO and a molecular weight of 383.27 g/mol. Its IUPAC name is 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine
PubChem CID43788951
Molecular FormulaC17H22INO
Molecular Weight383.27 g/mol
Exact Mass383.07
IUPAC Name2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine
SMILESCCC(CC)C(NCc1ccc(I)o1)c1ccccc1
InChIInChI=1S/C17H22INO/c1-3-13(4-2)17(14-8-6-5-7-9-14)19-12-15-10-11-16(18)20-15/h5-11,13,17,19H,3-4,12H2,1-2H3
InChIKeySUMGXTXSMXEEND-UHFFFAOYSA-N
XLogP5.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.27
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-2-ethyl-1-phenylbutan-1-amine
CID 43734675
N-benzyl-2-ethyl-1-phenylbutan-1-amine
CID 43734682
1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine
CID 43786897
N-[(5-iodofuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010727
2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1-phenylbutan-1-amine
CID 63445722
N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43786376
N-[(5-iodofuran-2-yl)methyl]hexan-3-amine
CID 62118557
N,N-diethyl-N'-[(5-iodofuran-2-yl)methyl]-1-phenylethane-1,2-diamine
CID 43758958
4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol
CID 43734643
N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine
CID 43734674
1-(3-bromophenyl)-N-[(5-iodofuran-2-yl)methyl]ethanamine
CID 43779045
2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine
CID 43734672

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine?
The IUPAC name of 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine (CID 43788951) is 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine?
The canonical SMILES for 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine is CCC(CC)C(NCc1ccc(I)o1)c1ccccc1.
What is the InChIKey of 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine?
The InChIKey is SUMGXTXSMXEEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22INO/c1-3-13(4-2)17(14-8-6-5-7-9-14)19-12-15-10-11-16(18)20-15/h5-11,13,17,19H,3-4,12H2,1-2H3.
What are the key properties of 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine?
2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine has a molecular weight of 383.27 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 43788951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).