N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine

C13H21NO — CID 79168540

IUPACN-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
SMILESCNC(C)c1cccc(OC(C)(C)C)c1
InChIInChI=1S/C13H21NO/c1-10(14-5)11-7-6-8-12(9-11)15-13(2,3)4/h6-10,14H,1-5H3
InChIKeyWDKIFOXUTFYQKS-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.14
Rot. Bonds3

About N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine

N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine (PubChem CID 79168540) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
PubChem CID79168540
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
SMILESCNC(C)c1cccc(OC(C)(C)C)c1
InChIInChI=1S/C13H21NO/c1-10(14-5)11-7-6-8-12(9-11)15-13(2,3)4/h6-10,14H,1-5H3
InChIKeyWDKIFOXUTFYQKS-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine
CID 79167385
2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 79360997
(1R)-1-(3-tert-butylphenyl)-N-methylethanamine
CID 131209247
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 79170154
N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
CID 62936434
1-[3-(4-bromo-3-fluorophenoxy)phenyl]-N-methylethanamine
CID 79167679
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
[3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate
CID 97103071
[3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine
CID 174679854
N-methyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279883
1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114930058

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine (CID 79168540) is N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine is CNC(C)c1cccc(OC(C)(C)C)c1.
What is the InChIKey of N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
The InChIKey is WDKIFOXUTFYQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(14-5)11-7-6-8-12(9-11)15-13(2,3)4/h6-10,14H,1-5H3.
What are the key properties of N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine is sourced from PubChem (CID 79168540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).