4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine

C16H27NO2 — CID 54861814

IUPAC4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
SMILESCOCc1ccccc1CNC(C)CC(C)(C)OC
InChIInChI=1S/C16H27NO2/c1-13(10-16(2,3)19-5)17-11-14-8-6-7-9-15(14)12-18-4/h6-9,13,17H,10-12H2,1-5H3
InChIKeyGIJNPGWSKKPLQY-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.13
Rot. Bonds8

About 4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine

4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine (PubChem CID 54861814) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
PubChem CID54861814
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
SMILESCOCc1ccccc1CNC(C)CC(C)(C)OC
InChIInChI=1S/C16H27NO2/c1-13(10-16(2,3)19-5)17-11-14-8-6-7-9-15(14)12-18-4/h6-9,13,17H,10-12H2,1-5H3
InChIKeyGIJNPGWSKKPLQY-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861778
3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol
CID 65338098
4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54896409
N-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine
CID 64630766
6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine
CID 116534560
4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine
CID 79763034
1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 104652747
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 103924687
(1R)-1-cyclopentyl-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 81395717
N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540165
1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440
2-ethyl-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43147091

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine?
The IUPAC name of 4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine (CID 54861814) is 4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine.
What is the SMILES notation for 4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine?
The canonical SMILES for 4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine is COCc1ccccc1CNC(C)CC(C)(C)OC.
What is the InChIKey of 4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine?
The InChIKey is GIJNPGWSKKPLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(10-16(2,3)19-5)17-11-14-8-6-7-9-15(14)12-18-4/h6-9,13,17H,10-12H2,1-5H3.
What are the key properties of 4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine?
4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 54861814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).