2-tert-butyl-6-[3-(4-iodophenyl)-2,3-dimethylbutan-2-yl]aniline

C22H30IN — CID 167114232

IUPAC2-tert-butyl-6-[3-(4-iodophenyl)-2,3-dimethylbutan-2-yl]aniline
SMILESCC(C)(C)c1cccc(C(C)(C)C(C)(C)c2ccc(I)cc2)c1N
InChIInChI=1S/C22H30IN/c1-20(2,3)17-9-8-10-18(19(17)24)22(6,7)21(4,5)15-11-13-16(23)14-12-15/h8-14H,24H2,1-7H3
InChIKeyJJAQZWIRUHMPCM-UHFFFAOYSA-N
MW435.39 g/mol
LogP6.43
Rot. Bonds3

About 2-tert-butyl-6-[3-(4-iodophenyl)-2,3-dimethylbutan-2-yl]aniline

2-tert-butyl-6-[3-(4-iodophenyl)-2,3-dimethylbutan-2-yl]aniline (PubChem CID 167114232) has the molecular formula C22H30IN and a molecular weight of 435.39 g/mol. Its IUPAC name is 2-tert-butyl-6-[3-(4-iodophenyl)-2,3-dimethylbutan-2-yl]aniline.

Molecular Properties

Compound Name2-tert-butyl-6-[3-(4-iodophenyl)-2,3-dimethylbutan-2-yl]aniline
PubChem CID167114232
Molecular FormulaC22H30IN
Molecular Weight435.39 g/mol
Exact Mass435.14
IUPAC Name2-tert-butyl-6-[3-(4-iodophenyl)-2,3-dimethylbutan-2-yl]aniline
SMILESCC(C)(C)c1cccc(C(C)(C)C(C)(C)c2ccc(I)cc2)c1N
InChIInChI=1S/C22H30IN/c1-20(2,3)17-9-8-10-18(19(17)24)22(6,7)21(4,5)15-11-13-16(23)14-12-15/h8-14H,24H2,1-7H3
InChIKeyJJAQZWIRUHMPCM-UHFFFAOYSA-N
XLogP6.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.39
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-2-iodobenzene
CID 637957
bis(4-tert-butylphenyl)-(4-iodophenyl)tellanium
CID 171726684
1-tert-butyl-4-iodobenzene;hydron;tetrafluoroborate
CID 174811942
2-tert-butylaniline
CID 159041627
1-tert-butyl-4-iodobenzene;tetraphenylboranuide
CID 89461890
acetic acid;1-tert-butyl-4-iodobenzene
CID 172850232
N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
CID 175472927
CID 175472927
2-tert-butyl-N-[1-(4-iodophenyl)ethyl]aniline
CID 43780792
1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738
benzene;4-tert-butylaniline
CID 175140068
2,6-ditert-butylphenol;hydrazine;hydrate
CID 174824895

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[3-(4-iodophenyl)-2,3-dimethylbutan-2-yl]aniline?
The IUPAC name of 2-tert-butyl-6-[3-(4-iodophenyl)-2,3-dimethylbutan-2-yl]aniline (CID 167114232) is 2-tert-butyl-6-[3-(4-iodophenyl)-2,3-dimethylbutan-2-yl]aniline.
What is the SMILES notation for 2-tert-butyl-6-[3-(4-iodophenyl)-2,3-dimethylbutan-2-yl]aniline?
The canonical SMILES for 2-tert-butyl-6-[3-(4-iodophenyl)-2,3-dimethylbutan-2-yl]aniline is CC(C)(C)c1cccc(C(C)(C)C(C)(C)c2ccc(I)cc2)c1N.
What is the InChIKey of 2-tert-butyl-6-[3-(4-iodophenyl)-2,3-dimethylbutan-2-yl]aniline?
The InChIKey is JJAQZWIRUHMPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30IN/c1-20(2,3)17-9-8-10-18(19(17)24)22(6,7)21(4,5)15-11-13-16(23)14-12-15/h8-14H,24H2,1-7H3.
What are the key properties of 2-tert-butyl-6-[3-(4-iodophenyl)-2,3-dimethylbutan-2-yl]aniline?
2-tert-butyl-6-[3-(4-iodophenyl)-2,3-dimethylbutan-2-yl]aniline has a molecular weight of 435.39 g/mol, XLogP of 6.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[3-(4-iodophenyl)-2,3-dimethylbutan-2-yl]aniline is sourced from PubChem (CID 167114232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).