N-(3-iodophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine

C16H16INO — CID 106700841

IUPACN-(3-iodophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1Nc1cccc(I)c1
InChIInChI=1S/C16H16INO/c1-16(2)15(13-8-3-4-9-14(13)19-16)18-12-7-5-6-11(17)10-12/h3-10,15,18H,1-2H3
InChIKeyCHXVLJNOTPNGAV-UHFFFAOYSA-N
MW365.21 g/mol
LogP4.62
Rot. Bonds2

About N-(3-iodophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine

N-(3-iodophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine (PubChem CID 106700841) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is N-(3-iodophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(3-iodophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
PubChem CID106700841
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC NameN-(3-iodophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1Nc1cccc(I)c1
InChIInChI=1S/C16H16INO/c1-16(2)15(13-8-3-4-9-14(13)19-16)18-12-7-5-6-11(17)10-12/h3-10,15,18H,1-2H3
InChIKeyCHXVLJNOTPNGAV-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 54.62
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-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700737
N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700731
N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701244
N-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700866
5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one
CID 106701000
N-(5-bromo-2,4-difluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701491
N-(2-bromo-4,6-dimethylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701329
2,2-dimethyl-N-(oxetan-3-yl)-3H-1-benzofuran-3-amine
CID 106701264
(3S,4R)-4-anilino-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 134962295
N-(5-bromo-4-fluoro-2-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 107591738
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 106700878
4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]benzonitrile
CID 106700898

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N-(3-iodophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine (CID 106700841) is N-(3-iodophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N-(3-iodophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N-(3-iodophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine is CC1(C)Oc2ccccc2C1Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
The InChIKey is CHXVLJNOTPNGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO/c1-16(2)15(13-8-3-4-9-14(13)19-16)18-12-7-5-6-11(17)10-12/h3-10,15,18H,1-2H3.
What are the key properties of N-(3-iodophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine?
N-(3-iodophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine has a molecular weight of 365.21 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106700841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).