N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine

C24H24INO — CID 137416089

IUPACN-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine
SMILESCCc1cccc2c1oc1c(N(I)c3ccccc3C(C)(C)C)cccc12
InChIInChI=1S/C24H24INO/c1-5-16-10-8-11-17-18-12-9-15-21(23(18)27-22(16)17)26(25)20-14-7-6-13-19(20)24(2,3)4/h6-15H,5H2,1-4H3
InChIKeyWJTJVFSOBRLVTD-UHFFFAOYSA-N
MW469.37 g/mol
LogP7.93
Rot. Bonds3

About N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine

N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine (PubChem CID 137416089) has the molecular formula C24H24INO and a molecular weight of 469.37 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine
PubChem CID137416089
Molecular FormulaC24H24INO
Molecular Weight469.37 g/mol
Exact Mass469.09
IUPAC NameN-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine
SMILESCCc1cccc2c1oc1c(N(I)c3ccccc3C(C)(C)C)cccc12
InChIInChI=1S/C24H24INO/c1-5-16-10-8-11-17-18-12-9-15-21(23(18)27-22(16)17)26(25)20-14-7-6-13-19(20)24(2,3)4/h6-15H,5H2,1-4H3
InChIKeyWJTJVFSOBRLVTD-UHFFFAOYSA-N
XLogP7.93
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.37
LogP ≤ 57.93
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

6-(2-tert-butyl-N-iodoanilino)dibenzofuran-4-carbonitrile
CID 137416092
6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine
CID 134527976
6-tert-butyl-N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
CID 137416686
6-ethyl-N-(2-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 138652786
N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527991
N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 137416612
N-(2-ethylphenyl)-N-iodo-6-(trifluoromethyl)dibenzothiophen-4-amine
CID 137416442
10-N,25-N-bis(6-tert-butyldibenzofuran-4-yl)-10-N,25-N,3,18-tetraphenyl-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-10,25-diamine;10-N,25-N-bis(6-ethyldibenzofuran-4-yl)-10-N,25-N,3,18-tetraphenyl-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-10,25-diamine;methane;10-N,25-N,3,18-tetraphenyl-10-N,25-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-10,25-diamine
CID 163899775
N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine
CID 134527957
6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine
CID 140873226
9-N,24-N-bis(6-ethyldibenzofuran-4-yl)-9-N,24-N-diphenyl-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-9,24-diamine
CID 138745154
6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527978

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine?
The IUPAC name of N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine (CID 137416089) is N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine.
What is the SMILES notation for N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine?
The canonical SMILES for N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine is CCc1cccc2c1oc1c(N(I)c3ccccc3C(C)(C)C)cccc12.
What is the InChIKey of N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine?
The InChIKey is WJTJVFSOBRLVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24INO/c1-5-16-10-8-11-17-18-12-9-15-21(23(18)27-22(16)17)26(25)20-14-7-6-13-19(20)24(2,3)4/h6-15H,5H2,1-4H3.
What are the key properties of N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine?
N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine has a molecular weight of 469.37 g/mol, XLogP of 7.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine is sourced from PubChem (CID 137416089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).