4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol

C12H19NO2 — CID 79361112

IUPAC4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1ccccc1CN
InChIInChI=1S/C12H19NO2/c1-12(2,14)7-8-15-11-6-4-3-5-10(11)9-13/h3-6,14H,7-9,13H2,1-2H3
InChIKeyUKCDBNHCYAFVRR-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.69
Rot. Bonds5

About 4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol

4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol (PubChem CID 79361112) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol
PubChem CID79361112
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1ccccc1CN
InChIInChI=1S/C12H19NO2/c1-12(2,14)7-8-15-11-6-4-3-5-10(11)9-13/h3-6,14H,7-9,13H2,1-2H3
InChIKeyUKCDBNHCYAFVRR-UHFFFAOYSA-N
XLogP1.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine
CID 20991684
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
CID 67183570
4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol
CID 79355173
(2-pent-3-ynoxyphenyl)methanamine
CID 104804318
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
4-[2-(hydroxymethyl)phenoxy]-2,2-dimethylbutanethioamide
CID 65248067
[2-(3-methoxy-3-methylbutoxy)phenyl]methanol
CID 102975241
[2-(3-ethylsulfanylpropoxy)phenyl]methanamine
CID 43530019
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
[2-(2-propoxyphenoxy)phenyl]methanamine
CID 28601470

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol (CID 79361112) is 4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol is CC(C)(O)CCOc1ccccc1CN.
What is the InChIKey of 4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol?
The InChIKey is UKCDBNHCYAFVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,14)7-8-15-11-6-4-3-5-10(11)9-13/h3-6,14H,7-9,13H2,1-2H3.
What are the key properties of 4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol?
4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 79361112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).