2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol

C14H23NO2 — CID 79360997

IUPAC2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
SMILESCNC(C)c1cccc(OCCC(C)(C)O)c1
InChIInChI=1S/C14H23NO2/c1-11(15-4)12-6-5-7-13(10-12)17-9-8-14(2,3)16/h5-7,10-11,15-16H,8-9H2,1-4H3
InChIKeyFOGCYOCOJPCQDO-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds6

About 2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol

2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol (PubChem CID 79360997) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
PubChem CID79360997
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
SMILESCNC(C)c1cccc(OCCC(C)(C)O)c1
InChIInChI=1S/C14H23NO2/c1-11(15-4)12-6-5-7-13(10-12)17-9-8-14(2,3)16/h5-7,10-11,15-16H,8-9H2,1-4H3
InChIKeyFOGCYOCOJPCQDO-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
CID 62936434
1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine
CID 65176672
5-[3-[1-(methylamino)ethyl]phenoxy]pentanenitrile
CID 54965992
N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 79168540
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889
1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103402998
(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
CID 63365378
N-methyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279883
1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 60883271
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 60883623
N-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine
CID 79167385

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol?
The IUPAC name of 2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol (CID 79360997) is 2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol?
The canonical SMILES for 2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol is CNC(C)c1cccc(OCCC(C)(C)O)c1.
What is the InChIKey of 2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol?
The InChIKey is FOGCYOCOJPCQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(15-4)12-6-5-7-13(10-12)17-9-8-14(2,3)16/h5-7,10-11,15-16H,8-9H2,1-4H3.
What are the key properties of 2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol?
2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol is sourced from PubChem (CID 79360997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).