N-(4-tert-butylphenyl)-2,3,5-trimethylaniline

C19H25N — CID 166974485

IUPACN-(4-tert-butylphenyl)-2,3,5-trimethylaniline
SMILESCc1cc(C)c(C)c(Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H25N/c1-13-11-14(2)15(3)18(12-13)20-17-9-7-16(8-10-17)19(4,5)6/h7-12,20H,1-6H3
InChIKeyLWDQGHJKWSHXGW-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.65
Rot. Bonds2

About N-(4-tert-butylphenyl)-2,3,5-trimethylaniline

N-(4-tert-butylphenyl)-2,3,5-trimethylaniline (PubChem CID 166974485) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2,3,5-trimethylaniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2,3,5-trimethylaniline
PubChem CID166974485
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-(4-tert-butylphenyl)-2,3,5-trimethylaniline
SMILESCc1cc(C)c(C)c(Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H25N/c1-13-11-14(2)15(3)18(12-13)20-17-9-7-16(8-10-17)19(4,5)6/h7-12,20H,1-6H3
InChIKeyLWDQGHJKWSHXGW-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline
CID 146643062
4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine
CID 43436257
3-(4-tert-butylphenoxy)-N-(4-tert-butylphenyl)-2-chloro-5-(3,5-dimethylphenyl)aniline
CID 171448739
N-(3,5-dimethylphenyl)-2,3,4,5-tetramethylaniline
CID 163665843
3,5-dimethyl-1-N-phenylbenzene-1,2-diamine
CID 91671728
1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine
CID 66094558
1-N-(4-tert-butylphenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506512
4-tert-butyl-N-(4-chlorophenyl)aniline
CID 15533800
2,3-dimethyl-N,5-diphenylaniline
CID 174892862
N,2-bis(4-tert-butylphenyl)aniline
CID 176593215
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)
CID 158514008
2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine
CID 55187303

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2,3,5-trimethylaniline?
The IUPAC name of N-(4-tert-butylphenyl)-2,3,5-trimethylaniline (CID 166974485) is N-(4-tert-butylphenyl)-2,3,5-trimethylaniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-2,3,5-trimethylaniline?
The canonical SMILES for N-(4-tert-butylphenyl)-2,3,5-trimethylaniline is Cc1cc(C)c(C)c(Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-2,3,5-trimethylaniline?
The InChIKey is LWDQGHJKWSHXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-13-11-14(2)15(3)18(12-13)20-17-9-7-16(8-10-17)19(4,5)6/h7-12,20H,1-6H3.
What are the key properties of N-(4-tert-butylphenyl)-2,3,5-trimethylaniline?
N-(4-tert-butylphenyl)-2,3,5-trimethylaniline has a molecular weight of 267.42 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2,3,5-trimethylaniline is sourced from PubChem (CID 166974485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).