N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline

C16H16INO — CID 43804363

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline
SMILESCc1cc(I)ccc1NCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H16INO/c1-11-8-14(17)3-4-15(11)18-10-12-2-5-16-13(9-12)6-7-19-16/h2-5,8-9,18H,6-7,10H2,1H3
InChIKeyWDTFCJMYAQYYNC-UHFFFAOYSA-N
MW365.21 g/mol
LogP4.15
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline (PubChem CID 43804363) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline
PubChem CID43804363
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline
SMILESCc1cc(I)ccc1NCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H16INO/c1-11-8-14(17)3-4-15(11)18-10-12-2-5-16-13(9-12)6-7-19-16/h2-5,8-9,18H,6-7,10H2,1H3
InChIKeyWDTFCJMYAQYYNC-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
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

3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol
CID 43804425
4-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-iodoaniline
CID 107631667
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline
CID 43804100
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-4-iodo-2-methylaniline
CID 43785264
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline
CID 43804057
N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline
CID 63440747
3-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylaniline
CID 63333075
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline
CID 43804020
N-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline
CID 43716986
N-[(3,4-dimethoxyphenyl)methyl]-4-iodo-2-methylaniline
CID 43716980
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
CID 43804025
1-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluorobenzene-1,2-diamine
CID 115127091

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline (CID 43804363) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline is Cc1cc(I)ccc1NCc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline?
The InChIKey is WDTFCJMYAQYYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO/c1-11-8-14(17)3-4-15(11)18-10-12-2-5-16-13(9-12)6-7-19-16/h2-5,8-9,18H,6-7,10H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline has a molecular weight of 365.21 g/mol, XLogP of 4.15, 3 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-ylmethyl)-4-iodo-2-methylaniline is sourced from PubChem (CID 43804363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).