N-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine

C14H23NO — CID 79167385

IUPACN-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine
SMILESCCC(C)(C)Oc1cccc(C(C)NC)c1
InChIInChI=1S/C14H23NO/c1-6-14(3,4)16-13-9-7-8-12(10-13)11(2)15-5/h7-11,15H,6H2,1-5H3
InChIKeyUZKVUAQETLAVHY-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.53
Rot. Bonds5

About N-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine

N-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine (PubChem CID 79167385) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine
PubChem CID79167385
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine
SMILESCCC(C)(C)Oc1cccc(C(C)NC)c1
InChIInChI=1S/C14H23NO/c1-6-14(3,4)16-13-9-7-8-12(10-13)11(2)15-5/h7-11,15H,6H2,1-5H3
InChIKeyUZKVUAQETLAVHY-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 79168540
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N,2-dimethyl-2-(3-propan-2-ylphenoxy)propan-1-amine
CID 62352635
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 79360997
N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
CID 62936434
1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine
CID 65176672
[3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine
CID 174679854
1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 60883271
(1R)-1-(3-tert-butylphenyl)-N-methylethanamine
CID 131209247
N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 79170154
N-methyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279883

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine (CID 79167385) is N-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine is CCC(C)(C)Oc1cccc(C(C)NC)c1.
What is the InChIKey of N-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine?
The InChIKey is UZKVUAQETLAVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-14(3,4)16-13-9-7-8-12(10-13)11(2)15-5/h7-11,15H,6H2,1-5H3.
What are the key properties of N-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine?
N-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.53, 5 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-methylbutan-2-yloxy)phenyl]ethanamine is sourced from PubChem (CID 79167385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).