N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine

C18H20INO — CID 43495451

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)c1ccccc1I
InChIInChI=1S/C18H20INO/c1-2-10-20-18(15-5-3-4-6-16(15)19)14-7-8-17-13(12-14)9-11-21-17/h3-8,12,18,20H,2,9-11H2,1H3
InChIKeySWDFSKNYRVAKQU-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.32
Rot. Bonds5

About N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine

N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine (PubChem CID 43495451) has the molecular formula C18H20INO and a molecular weight of 393.27 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine
PubChem CID43495451
Molecular FormulaC18H20INO
Molecular Weight393.27 g/mol
Exact Mass393.06
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)c1ccccc1I
InChIInChI=1S/C18H20INO/c1-2-10-20-18(15-5-3-4-6-16(15)19)14-7-8-17-13(12-14)9-11-21-17/h3-8,12,18,20H,2,9-11H2,1H3
InChIKeySWDFSKNYRVAKQU-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.32
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

[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]hydrazine
CID 105333859
N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 43495424
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine
CID 61027484
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 80605296
N-[cyclopenten-1-yl(2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 62200506
N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105180168
N-[2,3-dihydro-1-benzofuran-5-yl(phenyl)methyl]ethanamine
CID 43489842
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 43495473
N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine
CID 43489895
N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 43495083
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
CID 43495458
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine
CID 62065655

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine (CID 43495451) is N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine is CCCNC(c1ccc2c(c1)CCO2)c1ccccc1I.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine?
The InChIKey is SWDFSKNYRVAKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO/c1-2-10-20-18(15-5-3-4-6-16(15)19)14-7-8-17-13(12-14)9-11-21-17/h3-8,12,18,20H,2,9-11H2,1H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine?
N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine has a molecular weight of 393.27 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43495451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).