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

C15H20INO — CID 114377030

IUPACN-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1oc2c(I)cccc2c1C(C)C
InChIInChI=1S/C15H20INO/c1-9(2)14-11-6-5-7-12(16)15(11)18-13(14)8-17-10(3)4/h5-7,9-10,17H,8H2,1-4H3
InChIKeyIQRNZSIAMHOMNP-UHFFFAOYSA-N
MW357.24 g/mol
LogP4.66
Rot. Bonds4

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

N-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine (PubChem CID 114377030) has the molecular formula C15H20INO and a molecular weight of 357.24 g/mol. Its IUPAC name is N-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
PubChem CID114377030
Molecular FormulaC15H20INO
Molecular Weight357.24 g/mol
Exact Mass357.06
IUPAC NameN-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1oc2c(I)cccc2c1C(C)C
InChIInChI=1S/C15H20INO/c1-9(2)14-11-6-5-7-12(16)15(11)18-13(14)8-17-10(3)4/h5-7,9-10,17H,8H2,1-4H3
InChIKeyIQRNZSIAMHOMNP-UHFFFAOYSA-N
XLogP4.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.66
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-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376599
N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376666
N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81049925
N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376685
N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114377137
N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 55185952
N-[[7-ethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376989
N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114376818
N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 113459820
1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459839
N-[(6-chloro-7-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114377730
N-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
CID 117180965

Frequently Asked Questions

What is the IUPAC name of N-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine (CID 114377030) is N-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine is CC(C)NCc1oc2c(I)cccc2c1C(C)C.
What is the InChIKey of N-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine?
The InChIKey is IQRNZSIAMHOMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO/c1-9(2)14-11-6-5-7-12(16)15(11)18-13(14)8-17-10(3)4/h5-7,9-10,17H,8H2,1-4H3.
What are the key properties of N-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine?
N-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine has a molecular weight of 357.24 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-iodo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 114377030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).