N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline

C16H16INO — CID 43773391

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline
SMILESCC(Nc1cccc(I)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H16INO/c1-11(18-15-4-2-3-14(17)10-15)12-5-6-16-13(9-12)7-8-19-16/h2-6,9-11,18H,7-8H2,1H3
InChIKeyKYDOWILLZWHAOZ-UHFFFAOYSA-N
MW365.21 g/mol
LogP4.40
Rot. Bonds3

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

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline (PubChem CID 43773391) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline
PubChem CID43773391
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline
SMILESCC(Nc1cccc(I)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H16INO/c1-11(18-15-4-2-3-14(17)10-15)12-5-6-16-13(9-12)7-8-19-16/h2-6,9-11,18H,7-8H2,1H3
InChIKeyKYDOWILLZWHAOZ-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 54.40
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)ethyl]-3-(methoxymethyl)aniline
CID 43778884
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
CID 43756711
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline
CID 43124478
2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol
CID 107678862
4-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methoxyaniline
CID 82859890
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoropyridin-2-amine
CID 115598197
5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43782617
(1S)-1-(3-bromophenyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 81382292
2,4,6-tribromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]aniline
CID 43773640
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648489
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline
CID 43757843
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81347474

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline (CID 43773391) is N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline is CC(Nc1cccc(I)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline?
The InChIKey is KYDOWILLZWHAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO/c1-11(18-15-4-2-3-14(17)10-15)12-5-6-16-13(9-12)7-8-19-16/h2-6,9-11,18H,7-8H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline?
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline has a molecular weight of 365.21 g/mol, XLogP of 4.40, 3 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)ethyl]-3-iodoaniline is sourced from PubChem (CID 43773391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).