2-(3-tert-butyl-4-methoxyphenyl)-N-(methoxymethyl)ethanamine

C15H25NO2 — CID 115258824

IUPAC2-(3-tert-butyl-4-methoxyphenyl)-N-(methoxymethyl)ethanamine
SMILESCOCNCCc1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-15(2,3)13-10-12(6-7-14(13)18-5)8-9-16-11-17-4/h6-7,10,16H,8-9,11H2,1-5H3
InChIKeyXMPQABFKALHFJY-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.73
Rot. Bonds6

About 2-(3-tert-butyl-4-methoxyphenyl)-N-(methoxymethyl)ethanamine

2-(3-tert-butyl-4-methoxyphenyl)-N-(methoxymethyl)ethanamine (PubChem CID 115258824) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-methoxyphenyl)-N-(methoxymethyl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-4-methoxyphenyl)-N-(methoxymethyl)ethanamine
PubChem CID115258824
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(3-tert-butyl-4-methoxyphenyl)-N-(methoxymethyl)ethanamine
SMILESCOCNCCc1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-15(2,3)13-10-12(6-7-14(13)18-5)8-9-16-11-17-4/h6-7,10,16H,8-9,11H2,1-5H3
InChIKeyXMPQABFKALHFJY-UHFFFAOYSA-N
XLogP2.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195388
2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine
CID 94684195
1-[2-(3-tert-butyl-4-methoxyphenyl)ethylamino]propan-2-one
CID 115234974
4-(2-bromoethyl)-2-tert-butyl-1-methoxybenzene
CID 82488264
2-(3-tert-butyl-4-methoxyphenyl)ethylcarbamothioic S-acid
CID 115170243
methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 82553687
3-(3-tert-butyl-4-methoxyphenyl)propanenitrile
CID 82471944
3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1-thiol
CID 115224842
N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 64867078
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60689759
N-(bromomethyl)-2-(3-tert-butyl-4-methoxyphenyl)-N-methylethanamine
CID 115262355
4-(3-tert-butyl-4-methoxyphenyl)butanoic acid
CID 57172546

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)-N-(methoxymethyl)ethanamine?
The IUPAC name of 2-(3-tert-butyl-4-methoxyphenyl)-N-(methoxymethyl)ethanamine (CID 115258824) is 2-(3-tert-butyl-4-methoxyphenyl)-N-(methoxymethyl)ethanamine.
What is the SMILES notation for 2-(3-tert-butyl-4-methoxyphenyl)-N-(methoxymethyl)ethanamine?
The canonical SMILES for 2-(3-tert-butyl-4-methoxyphenyl)-N-(methoxymethyl)ethanamine is COCNCCc1ccc(OC)c(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butyl-4-methoxyphenyl)-N-(methoxymethyl)ethanamine?
The InChIKey is XMPQABFKALHFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,3)13-10-12(6-7-14(13)18-5)8-9-16-11-17-4/h6-7,10,16H,8-9,11H2,1-5H3.
What are the key properties of 2-(3-tert-butyl-4-methoxyphenyl)-N-(methoxymethyl)ethanamine?
2-(3-tert-butyl-4-methoxyphenyl)-N-(methoxymethyl)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4-methoxyphenyl)-N-(methoxymethyl)ethanamine is sourced from PubChem (CID 115258824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).