1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol

C12H19NO3 — CID 60888797

IUPAC1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
SMILESCOc1cccc(CN)c1OCC(C)(C)O
InChIInChI=1S/C12H19NO3/c1-12(2,14)8-16-11-9(7-13)5-4-6-10(11)15-3/h4-6,14H,7-8,13H2,1-3H3
InChIKeyRHAJGLZPNKTYIQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.30
Rot. Bonds5

About 1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol

1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol (PubChem CID 60888797) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
PubChem CID60888797
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
SMILESCOc1cccc(CN)c1OCC(C)(C)O
InChIInChI=1S/C12H19NO3/c1-12(2,14)8-16-11-9(7-13)5-4-6-10(11)15-3/h4-6,14H,7-8,13H2,1-3H3
InChIKeyRHAJGLZPNKTYIQ-UHFFFAOYSA-N
XLogP1.30
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
CID 64552071
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421
[2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine
CID 117052036
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 43471479
3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol
CID 114494393
[2-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982692
3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide
CID 55061826
[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine
CID 54793715
[3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine
CID 60889742

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol (CID 60888797) is 1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol is COc1cccc(CN)c1OCC(C)(C)O.
What is the InChIKey of 1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol?
The InChIKey is RHAJGLZPNKTYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2,14)8-16-11-9(7-13)5-4-6-10(11)15-3/h4-6,14H,7-8,13H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol?
1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 60888797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).