N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane

C30H41N — CID 142315173

IUPACN-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane
SMILESCC.CCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C28H35N.C2H6/c1-8-28(6,7)23-14-18-25(19-15-23)29(26-11-9-10-21(2)20-26)24-16-12-22(13-17-24)27(3,4)5;1-2/h9-20H,8H2,1-7H3;1-2H3
InChIKeyHSZLOMFUAHRTQD-UHFFFAOYSA-N
MW415.67 g/mol
LogP9.48
Rot. Bonds5

About N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane

N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane (PubChem CID 142315173) has the molecular formula C30H41N and a molecular weight of 415.67 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane
PubChem CID142315173
Molecular FormulaC30H41N
Molecular Weight415.67 g/mol
Exact Mass415.32
IUPAC NameN-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane
SMILESCC.CCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C28H35N.C2H6/c1-8-28(6,7)23-14-18-25(19-15-23)29(26-11-9-10-21(2)20-26)24-16-12-22(13-17-24)27(3,4)5;1-2/h9-20H,8H2,1-7H3;1-2H3
InChIKeyHSZLOMFUAHRTQD-UHFFFAOYSA-N
XLogP9.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.67
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(4-tert-butylphenyl)-3-methylaniline
CID 139326638
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
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,4-N-bis(3-ethenylphenyl)-1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]benzene-1,4-diamine;ethane;propane
CID 143729864
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
N,N-bis(4-tert-butylphenyl)-3-iodoaniline
CID 142315159
2-N',7-N'-bis(4-tert-butylphenyl)-2-N',7-N'-bis(3-methylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 153485901
N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 3672777
1-N,3-N-bis[4-(dimethylamino)phenyl]-1-N,3-N-bis[3-(2-methylbutan-2-yl)phenyl]benzene-1,3-diamine
CID 144692080
5-N,12-N-bis(4-tert-butylphenyl)-5-N,12-N-bis(3-methylphenyl)-1,8-bis(trimethylsilyl)rubicene-5,12-diamine
CID 58879327
N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-N-(4-tert-butylphenyl)-3-methylaniline
CID 142315143

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane?
The IUPAC name of N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane (CID 142315173) is N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane?
The canonical SMILES for N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane is CC.CCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(C)c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane?
The InChIKey is HSZLOMFUAHRTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N.C2H6/c1-8-28(6,7)23-14-18-25(19-15-23)29(26-11-9-10-21(2)20-26)24-16-12-22(13-17-24)27(3,4)5;1-2/h9-20H,8H2,1-7H3;1-2H3.
What are the key properties of N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane?
N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane has a molecular weight of 415.67 g/mol, XLogP of 9.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-methyl-N-[4-(2-methylbutan-2-yl)phenyl]aniline;ethane is sourced from PubChem (CID 142315173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).