N,N-bis(4-tert-butylphenyl)-3-iodoaniline

C26H30IN — CID 142315159

IUPACN,N-bis(4-tert-butylphenyl)-3-iodoaniline
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(I)c2)cc1
InChIInChI=1S/C26H30IN/c1-25(2,3)19-10-14-22(15-11-19)28(24-9-7-8-21(27)18-24)23-16-12-20(13-17-23)26(4,5)6/h7-18H,1-6H3
InChIKeyQKVANWKXKGELRT-UHFFFAOYSA-N
MW483.44 g/mol
LogP8.36
Rot. Bonds3

About N,N-bis(4-tert-butylphenyl)-3-iodoaniline

N,N-bis(4-tert-butylphenyl)-3-iodoaniline (PubChem CID 142315159) has the molecular formula C26H30IN and a molecular weight of 483.44 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-3-iodoaniline.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-3-iodoaniline
PubChem CID142315159
Molecular FormulaC26H30IN
Molecular Weight483.44 g/mol
Exact Mass483.14
IUPAC NameN,N-bis(4-tert-butylphenyl)-3-iodoaniline
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(I)c2)cc1
InChIInChI=1S/C26H30IN/c1-25(2,3)19-10-14-22(15-11-19)28(24-9-7-8-21(27)18-24)23-16-12-20(13-17-23)26(4,5)6/h7-18H,1-6H3
InChIKeyQKVANWKXKGELRT-UHFFFAOYSA-N
XLogP8.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.44
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(4-tert-butylphenyl)-3-methylaniline
CID 139326638
4-tert-butyl-N,N-diphenylaniline
CID 11312667
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 142084157
N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane
CID 142315173
N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline
CID 22630576
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-(3-methylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)-3-methylaniline
CID 89067945
1-N,3-N,5-N-tris(4-tert-butylphenyl)-1-N,3-N,5-N-tris(4-methylphenyl)benzene-1,3,5-triamine
CID 22900171
N-(4-tert-butylphenyl)-9,9,10,10-tetramethyl-N-phenylanthracen-2-amine
CID 167340397
2-N,7-N-bis(4-tert-butylphenyl)-9,10-dimethyl-2-N-(4-methylphenyl)-7-N-phenylphenanthrene-2,7-diamine
CID 144657375
3,5-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenol
CID 171750673
1-N,1-N,3-N,3-N,6-N,6-N,8-N,8-N-octakis(4-tert-butylphenyl)pyrene-1,3,6,8-tetramine
CID 167403972

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-3-iodoaniline?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-3-iodoaniline (CID 142315159) is N,N-bis(4-tert-butylphenyl)-3-iodoaniline.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-3-iodoaniline?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-3-iodoaniline is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(I)c2)cc1.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-3-iodoaniline?
The InChIKey is QKVANWKXKGELRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30IN/c1-25(2,3)19-10-14-22(15-11-19)28(24-9-7-8-21(27)18-24)23-16-12-20(13-17-23)26(4,5)6/h7-18H,1-6H3.
What are the key properties of N,N-bis(4-tert-butylphenyl)-3-iodoaniline?
N,N-bis(4-tert-butylphenyl)-3-iodoaniline has a molecular weight of 483.44 g/mol, XLogP of 8.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-3-iodoaniline is sourced from PubChem (CID 142315159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).