2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine

C15H25NO2 — CID 62106009

IUPAC2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine
SMILESCNCC(OCCC(C)C)c1ccccc1OC
InChIInChI=1S/C15H25NO2/c1-12(2)9-10-18-15(11-16-3)13-7-5-6-8-14(13)17-4/h5-8,12,15-16H,9-11H2,1-4H3
InChIKeyTWMHTNITJIRHQO-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.02
Rot. Bonds8

About 2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine

2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine (PubChem CID 62106009) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine
PubChem CID62106009
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine
SMILESCNCC(OCCC(C)C)c1ccccc1OC
InChIInChI=1S/C15H25NO2/c1-12(2)9-10-18-15(11-16-3)13-7-5-6-8-14(13)17-4/h5-8,12,15-16H,9-11H2,1-4H3
InChIKeyTWMHTNITJIRHQO-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-(2-methoxyphenyl)-N-methylethanamine
CID 53276193
2-(2-bromophenyl)-N-methyl-2-(4-methylpentoxy)ethanamine
CID 55036243
N-[2-(2-methoxyethoxy)-2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 62108685
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
N-methyl-2-(2-methylphenyl)-2-propoxyethanamine
CID 62106404
N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine
CID 62109368
2-[(2-methoxyphenyl)methyl]-N-methyl-4-propan-2-yloxybutan-1-amine
CID 62516668
N-[2-(2-fluorophenyl)-2-(3-methylbutoxy)ethyl]-2-methylpropan-2-amine
CID 62107937
2-(2-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 117243856
2-(2-fluorophenyl)-N-methyl-2-propoxyethanamine
CID 62108186
N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine
CID 115324466
1-(2-iodo-1-propoxyethyl)-2-methoxybenzene
CID 114772004

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine (CID 62106009) is 2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine is CNCC(OCCC(C)C)c1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine?
The InChIKey is TWMHTNITJIRHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)9-10-18-15(11-16-3)13-7-5-6-8-14(13)17-4/h5-8,12,15-16H,9-11H2,1-4H3.
What are the key properties of 2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine?
2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine is sourced from PubChem (CID 62106009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).