2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine

C16H27N — CID 115259627

IUPAC2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine
SMILESCCN(C)CCc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C16H27N/c1-7-17(6)11-10-14-8-9-15(12-13(14)2)16(3,4)5/h8-9,12H,7,10-11H2,1-6H3
InChIKeyNJONVAGYIXMHTQ-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.79
Rot. Bonds4

About 2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine

2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine (PubChem CID 115259627) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine
PubChem CID115259627
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine
SMILESCCN(C)CCc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C16H27N/c1-7-17(6)11-10-14-8-9-15(12-13(14)2)16(3,4)5/h8-9,12H,7,10-11H2,1-6H3
InChIKeyNJONVAGYIXMHTQ-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-[2-(4-tert-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine
CID 115227379
N-[(5-tert-butyl-2-methylphenyl)methyl]-N-methylethanamine
CID 115259408
4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol
CID 71290543
N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205937
N-ethyl-N-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 115259606
1-N-[(4-tert-butyl-2-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136058
(3Z)-3-[amino-(4-tert-butylphenyl)methylidene]-1-[4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenyl]-1-(hydroxymethyl)thiourea
CID 144541532
2-[(4-tert-butyl-2-methylphenyl)methyl-methylamino]acetonitrile
CID 115131135
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136246
2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040108
2-[4-[[3-(4-tert-butylphenyl)-1,2,4-thiadiazol-5-yl]oxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylethanamine;hydrochloride
CID 71504607
N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine
CID 82470206

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine?
The IUPAC name of 2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine (CID 115259627) is 2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine is CCN(C)CCc1ccc(C(C)(C)C)cc1C.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine?
The InChIKey is NJONVAGYIXMHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-7-17(6)11-10-14-8-9-15(12-13(14)2)16(3,4)5/h8-9,12H,7,10-11H2,1-6H3.
What are the key properties of 2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine?
2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine has a molecular weight of 233.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenyl)-N-ethyl-N-methylethanamine is sourced from PubChem (CID 115259627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).