N-methyl-2-(4-methylphenoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine

C16H27NO2 — CID 47811404

IUPACN-methyl-2-(4-methylphenoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
SMILESCc1ccc(OCCN(C)CCOC(C)(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-14-6-8-15(9-7-14)18-12-10-17(5)11-13-19-16(2,3)4/h6-9H,10-13H2,1-5H3
InChIKeyYLRMDXUBQITDTJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.12
Rot. Bonds7

About N-methyl-2-(4-methylphenoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine

N-methyl-2-(4-methylphenoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine (PubChem CID 47811404) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
PubChem CID47811404
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-methyl-2-(4-methylphenoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
SMILESCc1ccc(OCCN(C)CCOC(C)(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-14-6-8-15(9-7-14)18-12-10-17(5)11-13-19-16(2,3)4/h6-9H,10-13H2,1-5H3
InChIKeyYLRMDXUBQITDTJ-UHFFFAOYSA-N
XLogP3.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 134582807
N,N,2,3-tetramethyl-3-[4-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethoxy]phenyl]butan-2-amine
CID 135174908
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid
CID 43386105
2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 47075327
N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine
CID 5261957
6-[[methyl-[2-(4-methylphenoxy)ethyl]amino]methyl]-1,3,5-triazine-2,4-diamine
CID 26429610
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 64685287
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine
CID 91829662
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane
CID 144962995
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol
CID 78927381

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The IUPAC name of N-methyl-2-(4-methylphenoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine (CID 47811404) is N-methyl-2-(4-methylphenoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine.
What is the SMILES notation for N-methyl-2-(4-methylphenoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The canonical SMILES for N-methyl-2-(4-methylphenoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine is Cc1ccc(OCCN(C)CCOC(C)(C)C)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The InChIKey is YLRMDXUBQITDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-14-6-8-15(9-7-14)18-12-10-17(5)11-13-19-16(2,3)4/h6-9H,10-13H2,1-5H3.
What are the key properties of N-methyl-2-(4-methylphenoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
N-methyl-2-(4-methylphenoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine is sourced from PubChem (CID 47811404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).