N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine

C14H18INO — CID 55185952

IUPACN-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1oc2c(I)cccc2c1C
InChIInChI=1S/C14H18INO/c1-4-8-16-10(3)13-9(2)11-6-5-7-12(15)14(11)17-13/h5-7,10,16H,4,8H2,1-3H3
InChIKeyIYQAAFIPKNLCGB-UHFFFAOYSA-N
MW343.21 g/mol
LogP4.41
Rot. Bonds4

About N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine

N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine (PubChem CID 55185952) has the molecular formula C14H18INO and a molecular weight of 343.21 g/mol. Its IUPAC name is N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
PubChem CID55185952
Molecular FormulaC14H18INO
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC NameN-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1oc2c(I)cccc2c1C
InChIInChI=1S/C14H18INO/c1-4-8-16-10(3)13-9(2)11-6-5-7-12(15)14(11)17-13/h5-7,10,16H,4,8H2,1-3H3
InChIKeyIYQAAFIPKNLCGB-UHFFFAOYSA-N
XLogP4.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 54.41
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-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 61281326
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
N-[1-(5-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398602
N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398521
N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398943
N-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114377030
2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43777777
1-(7-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61281320
N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine
CID 107984713
N-methyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 102676059
2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43771437
(1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 124571843

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine (CID 55185952) is N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine is CCCNC(C)c1oc2c(I)cccc2c1C.
What is the InChIKey of N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The InChIKey is IYQAAFIPKNLCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO/c1-4-8-16-10(3)13-9(2)11-6-5-7-12(15)14(11)17-13/h5-7,10,16H,4,8H2,1-3H3.
What are the key properties of N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine has a molecular weight of 343.21 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 55185952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).