N-tert-butyl-4-ethylaniline

C12H19N — CID 58745565

IUPACN-tert-butyl-4-ethylaniline
SMILESCCc1ccc(NC(C)(C)C)cc1
InChIInChI=1S/C12H19N/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h6-9,13H,5H2,1-4H3
InChIKeyMWKBCYZKRVOYMC-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.46
Rot. Bonds2

About N-tert-butyl-4-ethylaniline

N-tert-butyl-4-ethylaniline (PubChem CID 58745565) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-tert-butyl-4-ethylaniline.

Molecular Properties

Compound NameN-tert-butyl-4-ethylaniline
PubChem CID58745565
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-tert-butyl-4-ethylaniline
SMILESCCc1ccc(NC(C)(C)C)cc1
InChIInChI=1S/C12H19N/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h6-9,13H,5H2,1-4H3
InChIKeyMWKBCYZKRVOYMC-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethylanilino)-2-methylpropanenitrile
CID 82125457
N,4-diethylaniline
CID 6429431
1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine
CID 166062456
N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine
CID 107444584
N-bromo-4-ethylaniline
CID 118307209
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
1-tert-butyl-4-ethylbenzene
CID 157359507
ethane;4-ethyl-N-methylaniline;methane
CID 142034195
4-ethyl-N-(3-fluoropropyl)aniline
CID 81106557
N-tert-butyl-1-methylpyridin-1-ium-4-amine;methane
CID 159563404
4-(4-ethylphenyl)-N-methylaniline
CID 83639646

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-ethylaniline?
The IUPAC name of N-tert-butyl-4-ethylaniline (CID 58745565) is N-tert-butyl-4-ethylaniline.
What is the SMILES notation for N-tert-butyl-4-ethylaniline?
The canonical SMILES for N-tert-butyl-4-ethylaniline is CCc1ccc(NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-ethylaniline?
The InChIKey is MWKBCYZKRVOYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h6-9,13H,5H2,1-4H3.
What are the key properties of N-tert-butyl-4-ethylaniline?
N-tert-butyl-4-ethylaniline has a molecular weight of 177.29 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-ethylaniline is sourced from PubChem (CID 58745565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).