4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline

C23H36N2 — CID 159098824

IUPAC4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline
SMILESCC(C)c1ccc(N(C)C)cc1.CN(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H19N.C11H17N/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-9(2)10-5-7-11(8-6-10)12(3)4/h6-9H,1-5H3;5-9H,1-4H3
InChIKeyKDAAIBGHMJVBIO-UHFFFAOYSA-N
MW340.56 g/mol
LogP5.93
Rot. Bonds3

About 4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline

4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline (PubChem CID 159098824) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is 4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline.

Molecular Properties

Compound Name4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline
PubChem CID159098824
Molecular FormulaC23H36N2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC Name4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline
SMILESCC(C)c1ccc(N(C)C)cc1.CN(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H19N.C11H17N/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-9(2)10-5-7-11(8-6-10)12(3)4/h6-9H,1-5H3;5-9H,1-4H3
InChIKeyKDAAIBGHMJVBIO-UHFFFAOYSA-N
XLogP5.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.56
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 172537053
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfanylphenyl]-N-(4-tert-butylphenyl)-4-propan-2-ylaniline
CID 138547339
1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol
CID 101076282
1-[bromo-(4-tert-butylphenyl)methyl]-4-propan-2-ylbenzene
CID 63439847
1-tert-butyl-4-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 63431525
2-N,2-N,11-N-tris(4-tert-butylphenyl)-11-N-(4-propan-2-ylphenyl)benzo[c]phenanthrene-2,11-diamine
CID 91347233
1-N,4-N-bis(4-butylphenyl)-4-N-(4-tert-butylphenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 70822243
1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
CID 59133312
(2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
CID 97294233
(2R)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
CID 97294234

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline?
The IUPAC name of 4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline (CID 159098824) is 4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline.
What is the SMILES notation for 4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline?
The canonical SMILES for 4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline is CC(C)c1ccc(N(C)C)cc1.CN(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline?
The InChIKey is KDAAIBGHMJVBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C11H17N/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-9(2)10-5-7-11(8-6-10)12(3)4/h6-9H,1-5H3;5-9H,1-4H3.
What are the key properties of 4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline?
4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline has a molecular weight of 340.56 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline is sourced from PubChem (CID 159098824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).