N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline

C17H17FINO — CID 79759306

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline
SMILESCCC(Nc1ccc(F)cc1I)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H17FINO/c1-2-15(20-16-5-4-13(18)10-14(16)19)11-3-6-17-12(9-11)7-8-21-17/h3-6,9-10,15,20H,2,7-8H2,1H3
InChIKeyFWGQNGUIVRMDBF-UHFFFAOYSA-N
MW397.23 g/mol
LogP4.93
Rot. Bonds4

About N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline

N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline (PubChem CID 79759306) has the molecular formula C17H17FINO and a molecular weight of 397.23 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline
PubChem CID79759306
Molecular FormulaC17H17FINO
Molecular Weight397.23 g/mol
Exact Mass397.03
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline
SMILESCCC(Nc1ccc(F)cc1I)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H17FINO/c1-2-15(20-16-5-4-13(18)10-14(16)19)11-3-6-17-12(9-11)7-8-21-17/h3-6,9-10,15,20H,2,7-8H2,1H3
InChIKeyFWGQNGUIVRMDBF-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 54.93
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-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-iodo-2-methylaniline
CID 43785264
2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline
CID 43762666
5-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylaniline
CID 43787901
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732589
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol
CID 103778642
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-6-methoxypyridin-3-amine
CID 43755895
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)propan-1-amine
CID 43778443
N-(2-cyclohexylethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 63450791
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2,3-dimethylbutan-1-amine
CID 64568486

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline (CID 79759306) is N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline is CCC(Nc1ccc(F)cc1I)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline?
The InChIKey is FWGQNGUIVRMDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FINO/c1-2-15(20-16-5-4-13(18)10-14(16)19)11-3-6-17-12(9-11)7-8-21-17/h3-6,9-10,15,20H,2,7-8H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline?
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline has a molecular weight of 397.23 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-fluoro-2-iodoaniline is sourced from PubChem (CID 79759306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).