4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol

C15H25NO2 — CID 79360568

IUPAC4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol
SMILESCCNCc1cc(C)ccc1OCCC(C)(C)O
InChIInChI=1S/C15H25NO2/c1-5-16-11-13-10-12(2)6-7-14(13)18-9-8-15(3,4)17/h6-7,10,16-17H,5,8-9,11H2,1-4H3
InChIKeyTWPWFDPMLZGGCN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.64
Rot. Bonds7

About 4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol

4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol (PubChem CID 79360568) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol
PubChem CID79360568
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol
SMILESCCNCc1cc(C)ccc1OCCC(C)(C)O
InChIInChI=1S/C15H25NO2/c1-5-16-11-13-10-12(2)6-7-14(13)18-9-8-15(3,4)17/h6-7,10,16-17H,5,8-9,11H2,1-4H3
InChIKeyTWPWFDPMLZGGCN-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-methyl-2-(4,4,4-trifluorobutoxy)phenyl]methyl]ethanamine
CID 115513238
6-[2-(ethylaminomethyl)-4-methylphenoxy]-2,2-dimethylhexanenitrile
CID 106708824
5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol
CID 55204167
N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 63323168
2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile
CID 63323548
N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine
CID 63323068
4-[4-fluoro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107695918
4-[4-chloro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79360985
N-[[5-methyl-2-[2-(1,3-oxazol-2-yl)ethoxy]phenyl]methyl]ethanamine;hydrochloride
CID 139898283
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196
N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine
CID 80699310
4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol
CID 63326937

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol (CID 79360568) is 4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol is CCNCc1cc(C)ccc1OCCC(C)(C)O.
What is the InChIKey of 4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol?
The InChIKey is TWPWFDPMLZGGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-16-11-13-10-12(2)6-7-14(13)18-9-8-15(3,4)17/h6-7,10,16-17H,5,8-9,11H2,1-4H3.
What are the key properties of 4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol?
4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 79360568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).