N,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline

C33H45N — CID 126747851

IUPACN,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline
SMILESCc1ccc(N(C(C)(C)c2ccc(C(C)(C)C)cc2)C(C)(C)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C33H45N/c1-24-12-22-29(23-13-24)34(32(8,9)27-18-14-25(15-19-27)30(2,3)4)33(10,11)28-20-16-26(17-21-28)31(5,6)7/h12-23H,1-11H3
InChIKeyWYJBELFYMARFPP-UHFFFAOYSA-N
MW455.73 g/mol
LogP9.27
Rot. Bonds5

About N,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline

N,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline (PubChem CID 126747851) has the molecular formula C33H45N and a molecular weight of 455.73 g/mol. Its IUPAC name is N,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline.

Molecular Properties

Compound NameN,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline
PubChem CID126747851
Molecular FormulaC33H45N
Molecular Weight455.73 g/mol
Exact Mass455.36
IUPAC NameN,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline
SMILESCc1ccc(N(C(C)(C)c2ccc(C(C)(C)C)cc2)C(C)(C)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C33H45N/c1-24-12-22-29(23-13-24)34(32(8,9)27-18-14-25(15-19-27)30(2,3)4)33(10,11)28-20-16-26(17-21-28)31(5,6)7/h12-23H,1-11H3
InChIKeyWYJBELFYMARFPP-UHFFFAOYSA-N
XLogP9.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.73
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
1-tert-butyl-4-methylbenzene
CID 163486601
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
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
4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134426365
1-[2,3-bis(4-methylphenyl)cyclopropyl]-4-tert-butylbenzene
CID 123709825
N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline
CID 142034446
N,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene
CID 165070173
1-tert-butyl-4-methylbenzene;dibromozinc
CID 174651577
10-N-(4-tert-butylphenyl)-9-N,9-N,10-N-tris(4-methylphenyl)anthracene-9,10-diamine
CID 126627134
4-N-(4-tert-butyl-2-methylphenyl)-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 143059806

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline?
The IUPAC name of N,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline (CID 126747851) is N,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline.
What is the SMILES notation for N,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline?
The canonical SMILES for N,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline is Cc1ccc(N(C(C)(C)c2ccc(C(C)(C)C)cc2)C(C)(C)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline?
The InChIKey is WYJBELFYMARFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N/c1-24-12-22-29(23-13-24)34(32(8,9)27-18-14-25(15-19-27)30(2,3)4)33(10,11)28-20-16-26(17-21-28)31(5,6)7/h12-23H,1-11H3.
What are the key properties of N,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline?
N,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline has a molecular weight of 455.73 g/mol, XLogP of 9.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline is sourced from PubChem (CID 126747851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).