2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine

C16H27NO2 — CID 106667108

IUPAC2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine
SMILESCNCC(OCCC(C)(C)OC)c1ccccc1C
InChIInChI=1S/C16H27NO2/c1-13-8-6-7-9-14(13)15(12-17-4)19-11-10-16(2,3)18-5/h6-9,15,17H,10-12H2,1-5H3
InChIKeyKFWAGNJOIBGBPX-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.09
Rot. Bonds8

About 2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine

2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine (PubChem CID 106667108) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine
PubChem CID106667108
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine
SMILESCNCC(OCCC(C)(C)OC)c1ccccc1C
InChIInChI=1S/C16H27NO2/c1-13-8-6-7-9-14(13)15(12-17-4)19-11-10-16(2,3)18-5/h6-9,15,17H,10-12H2,1-5H3
InChIKeyKFWAGNJOIBGBPX-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine
CID 106667087
2-(2-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)-N-methylethanamine
CID 106667015
N-methyl-2-(2-methylphenyl)-2-propoxyethanamine
CID 62106404
N-methyl-2-(2-methylphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63684704
N-[2-(2-methoxyethoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 55036431
N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 62108762
3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 103033487
N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine
CID 82957812
2-[(3-methoxyphenyl)methoxy]-N-methyl-2-(2-methylphenyl)ethanamine
CID 62106288
2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine
CID 62106009
N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591568
2-(2-bromophenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82792734

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine (CID 106667108) is 2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine is CNCC(OCCC(C)(C)OC)c1ccccc1C.
What is the InChIKey of 2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine?
The InChIKey is KFWAGNJOIBGBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13-8-6-7-9-14(13)15(12-17-4)19-11-10-16(2,3)18-5/h6-9,15,17H,10-12H2,1-5H3.
What are the key properties of 2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine?
2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 106667108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).