N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline

C25H29N — CID 142034446

IUPACN-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline
SMILESCCc1ccc(N(c2ccc(C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H29N/c1-6-20-9-15-23(16-10-20)26(22-13-7-19(2)8-14-22)24-17-11-21(12-18-24)25(3,4)5/h7-18H,6H2,1-5H3
InChIKeyIZKWJVFVVOWOIO-UHFFFAOYSA-N
MW343.51 g/mol
LogP7.32
Rot. Bonds4

About N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline

N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline (PubChem CID 142034446) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline
PubChem CID142034446
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC NameN-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline
SMILESCCc1ccc(N(c2ccc(C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H29N/c1-6-20-9-15-23(16-10-20)26(22-13-7-19(2)8-14-22)24-17-11-21(12-18-24)25(3,4)5/h7-18H,6H2,1-5H3
InChIKeyIZKWJVFVVOWOIO-UHFFFAOYSA-N
XLogP7.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-tert-butylphenyl)-4-ethylaniline
CID 59863448
N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline
CID 59863422
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
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
1-tert-butyl-4-ethylbenzene
CID 157359507
N-(4-ethylphenyl)-4-methyl-N-phenylaniline
CID 58800452
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134426365
1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159662015
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-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159025923

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline?
The IUPAC name of N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline (CID 142034446) is N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline?
The canonical SMILES for N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline is CCc1ccc(N(c2ccc(C)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline?
The InChIKey is IZKWJVFVVOWOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N/c1-6-20-9-15-23(16-10-20)26(22-13-7-19(2)8-14-22)24-17-11-21(12-18-24)25(3,4)5/h7-18H,6H2,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline?
N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline has a molecular weight of 343.51 g/mol, XLogP of 7.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline is sourced from PubChem (CID 142034446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).