N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine

C24H24INO — CID 137416612

IUPACN-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
SMILESCC(C)c1ccccc1N(I)c1cccc2c1oc1c(C(C)C)cccc12
InChIInChI=1S/C24H24INO/c1-15(2)17-9-5-6-13-21(17)26(25)22-14-8-12-20-19-11-7-10-18(16(3)4)23(19)27-24(20)22/h5-16H,1-4H3
InChIKeyWCGADAXKVVGLCS-UHFFFAOYSA-N
MW469.37 g/mol
LogP8.32
Rot. Bonds4

About N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine

N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine (PubChem CID 137416612) has the molecular formula C24H24INO and a molecular weight of 469.37 g/mol. Its IUPAC name is N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
PubChem CID137416612
Molecular FormulaC24H24INO
Molecular Weight469.37 g/mol
Exact Mass469.09
IUPAC NameN-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
SMILESCC(C)c1ccccc1N(I)c1cccc2c1oc1c(C(C)C)cccc12
InChIInChI=1S/C24H24INO/c1-15(2)17-9-5-6-13-21(17)26(25)22-14-8-12-20-19-11-7-10-18(16(3)4)23(19)27-24(20)22/h5-16H,1-4H3
InChIKeyWCGADAXKVVGLCS-UHFFFAOYSA-N
XLogP8.32
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.37
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine
CID 138651496
N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine
CID 138456794
N-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine
CID 138652817
6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527978
6-cyclohexyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527995
N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
CID 149287713
8-N,23-N,3,18-tetraphenyl-8-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
CID 138745228
6-tert-butyl-N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
CID 137416686
N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine
CID 137416089
6-(2-tert-butyl-N-iodoanilino)dibenzofuran-4-carbonitrile
CID 137416092
18,18,21,21-tetramethyl-15-N,24-N-diphenyl-15-N,24-N-bis(6-propan-2-yldibenzofuran-4-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine
CID 155761176
9-N,23-N-bis(2-methylphenyl)-2,16-diphenyl-9-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155363244

Frequently Asked Questions

What is the IUPAC name of N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine (CID 137416612) is N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine is CC(C)c1ccccc1N(I)c1cccc2c1oc1c(C(C)C)cccc12.
What is the InChIKey of N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine?
The InChIKey is WCGADAXKVVGLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24INO/c1-15(2)17-9-5-6-13-21(17)26(25)22-14-8-12-20-19-11-7-10-18(16(3)4)23(19)27-24(20)22/h5-16H,1-4H3.
What are the key properties of N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine?
N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine has a molecular weight of 469.37 g/mol, XLogP of 8.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 137416612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).