1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine

C15H25NO — CID 82496678

IUPAC1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine
SMILESCNC(C)c1cc(C(C)(C)C)c(OC)cc1C
InChIInChI=1S/C15H25NO/c1-10-8-14(17-7)13(15(3,4)5)9-12(10)11(2)16-6/h8-9,11,16H,1-7H3
InChIKeyQJENOZPLFGWVFE-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.58
Rot. Bonds3

About 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine

1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine (PubChem CID 82496678) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine
PubChem CID82496678
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine
SMILESCNC(C)c1cc(C(C)(C)C)c(OC)cc1C
InChIInChI=1S/C15H25NO/c1-10-8-14(17-7)13(15(3,4)5)9-12(10)11(2)16-6/h8-9,11,16H,1-7H3
InChIKeyQJENOZPLFGWVFE-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol
CID 112512918
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid
CID 82481489
(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine
CID 82296043
1-(4-tert-butyl-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117382208
(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
CID 82302431
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43626719
1-tert-butyl-4-fluoro-2-methoxy-5-propan-2-ylbenzene
CID 59135063
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 94978960
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
4-tert-butyl-5-methoxy-2-methylaniline
CID 59687322
1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 43626707
1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954031

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine (CID 82496678) is 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine is CNC(C)c1cc(C(C)(C)C)c(OC)cc1C.
What is the InChIKey of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine?
The InChIKey is QJENOZPLFGWVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10-8-14(17-7)13(15(3,4)5)9-12(10)11(2)16-6/h8-9,11,16H,1-7H3.
What are the key properties of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine?
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 82496678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).