2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine

C15H25NO — CID 117343656

IUPAC2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNCCc1cc(C)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-11-9-12(7-8-16-5)10-13(14(11)17-6)15(2,3)4/h9-10,16H,7-8H2,1-6H3
InChIKeyLTKIALFGFREEQX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.06
Rot. Bonds4

About 2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine

2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine (PubChem CID 117343656) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine
PubChem CID117343656
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNCCc1cc(C)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-11-9-12(7-8-16-5)10-13(14(11)17-6)15(2,3)4/h9-10,16H,7-8H2,1-6H3
InChIKeyLTKIALFGFREEQX-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine
CID 95452310
2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]-N-methylethanamine
CID 83068822
2-[(3-tert-butyl-4-methoxy-5-methylphenyl)methyl]prop-2-en-1-ol
CID 122503618
2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 117422639
2-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]-2-methylpropan-1-ol
CID 115133609
1-(3-tert-butyl-4-methoxy-5-methylphenyl)-2-(methylamino)ethanol
CID 117382207
[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol
CID 115229389
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea
CID 115169411
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217828
1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane
CID 143616670
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine
CID 82552404
2-[2-(3,5-ditert-butyl-4-methoxyphenyl)ethyl]propane-1,3-diol
CID 83938580

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine (CID 117343656) is 2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine is CNCCc1cc(C)c(OC)c(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine?
The InChIKey is LTKIALFGFREEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-9-12(7-8-16-5)10-13(14(11)17-6)15(2,3)4/h9-10,16H,7-8H2,1-6H3.
What are the key properties of 2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine?
2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4-methoxy-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 117343656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).