N,N-bis(4-tert-butylphenyl)-4-ethylaniline

C28H35N — CID 59863448

IUPACN,N-bis(4-tert-butylphenyl)-4-ethylaniline
SMILESCCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C28H35N/c1-8-21-9-15-24(16-10-21)29(25-17-11-22(12-18-25)27(2,3)4)26-19-13-23(14-20-26)28(5,6)7/h9-20H,8H2,1-7H3
InChIKeyWSSQEMMYPZEIQV-UHFFFAOYSA-N
MW385.60 g/mol
LogP8.31
Rot. Bonds4

About N,N-bis(4-tert-butylphenyl)-4-ethylaniline

N,N-bis(4-tert-butylphenyl)-4-ethylaniline (PubChem CID 59863448) has the molecular formula C28H35N and a molecular weight of 385.60 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-4-ethylaniline.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-4-ethylaniline
PubChem CID59863448
Molecular FormulaC28H35N
Molecular Weight385.60 g/mol
Exact Mass385.28
IUPAC NameN,N-bis(4-tert-butylphenyl)-4-ethylaniline
SMILESCCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C28H35N/c1-8-21-9-15-24(16-10-21)29(25-17-11-22(12-18-25)27(2,3)4)26-19-13-23(14-20-26)28(5,6)7/h9-20H,8H2,1-7H3
InChIKeyWSSQEMMYPZEIQV-UHFFFAOYSA-N
XLogP8.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.60
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline
CID 59863422
N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline
CID 142034446
1-tert-butyl-4-ethylbenzene
CID 157359507
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
N-(4-buta-1,3-dien-2-ylphenyl)-N-(4-tert-butylphenyl)-4-ethylaniline
CID 159225256
4-tert-butyl-N,N-diphenylaniline
CID 11312667
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
12-N-(4-tert-butylphenyl)-6-N-(4-ethylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine
CID 90869700
1,1'-biphenyl;1-tert-butyl-4-ethylbenzene
CID 142597809
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
N,N-bis[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-4-[(E)-2-[4-[(trimethyl-λ4-sulfanyl)methyl]phenyl]ethenyl]aniline
CID 143481097
4-tert-butyl-N,N-diethylaniline
CID 10632068

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-4-ethylaniline?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-4-ethylaniline (CID 59863448) is N,N-bis(4-tert-butylphenyl)-4-ethylaniline.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-4-ethylaniline?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-4-ethylaniline is CCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-4-ethylaniline?
The InChIKey is WSSQEMMYPZEIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N/c1-8-21-9-15-24(16-10-21)29(25-17-11-22(12-18-25)27(2,3)4)26-19-13-23(14-20-26)28(5,6)7/h9-20H,8H2,1-7H3.
What are the key properties of N,N-bis(4-tert-butylphenyl)-4-ethylaniline?
N,N-bis(4-tert-butylphenyl)-4-ethylaniline has a molecular weight of 385.60 g/mol, XLogP of 8.31, 4 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)-4-ethylaniline is sourced from PubChem (CID 59863448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).