2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine

C13H21NO2 — CID 53276269

IUPAC2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNCC(OC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-10(2)16-13(9-14-3)11-5-7-12(15-4)8-6-11/h5-8,10,13-14H,9H2,1-4H3
InChIKeyUSZXBURDLLGQGR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.38
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine

2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine (PubChem CID 53276269) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
PubChem CID53276269
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNCC(OC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-10(2)16-13(9-14-3)11-5-7-12(15-4)8-6-11/h5-8,10,13-14H,9H2,1-4H3
InChIKeyUSZXBURDLLGQGR-UHFFFAOYSA-N
XLogP2.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 53276270
2-(1-ethoxypropan-2-yloxy)-2-(4-methoxyphenyl)-N-methylethanamine
CID 103490183
2-(4-methoxyphenyl)-N-methyl-2-octan-2-yloxyethanamine
CID 62108868
2-(4-methoxyphenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 62108025
2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 53276085
2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 62109907
3-(4-methoxyphenyl)-N,2-dimethylbutan-1-amine
CID 81016213
2-(4-methoxyphenyl)-N-methyl-2-pentoxyethanamine
CID 62110727
2-(4-methoxyphenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine
CID 62107386
2-(4-methoxyphenyl)-N-methyl-2-(3-methylcyclohexyl)oxyethanamine
CID 62110723
2-ethyl-1-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 116946443
N-[2-ethoxy-2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 62108347

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine (CID 53276269) is 2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine is CNCC(OC(C)C)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine?
The InChIKey is USZXBURDLLGQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)16-13(9-14-3)11-5-7-12(15-4)8-6-11/h5-8,10,13-14H,9H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine?
2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 53276269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).