1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol

C11H17NO2 — CID 112607256

IUPAC1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol
SMILESCc1cccc(CN)c1OCC(C)O
InChIInChI=1S/C11H17NO2/c1-8-4-3-5-10(6-12)11(8)14-7-9(2)13/h3-5,9,13H,6-7,12H2,1-2H3
InChIKeyYXIHWHMXFIFRKS-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.21
Rot. Bonds4

About 1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol

1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol (PubChem CID 112607256) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol
PubChem CID112607256
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol
SMILESCc1cccc(CN)c1OCC(C)O
InChIInChI=1S/C11H17NO2/c1-8-4-3-5-10(6-12)11(8)14-7-9(2)13/h3-5,9,13H,6-7,12H2,1-2H3
InChIKeyYXIHWHMXFIFRKS-UHFFFAOYSA-N
XLogP1.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol
CID 139797710
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
[3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112607493
[2-(3-methoxypropoxy)-3-methylphenyl]methanamine
CID 112607496
(3-methyl-2-phosphanyloxyphenyl)methanamine
CID 143384001
(2-decoxy-3-methylphenyl)methanamine
CID 115951875
[3-methyl-2-(2-phenylethoxy)phenyl]methanamine
CID 112607242
3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol
CID 112612371
3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol
CID 112607358
[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine
CID 106437083
1-amino-3-(2,6-dimethylphenoxy)propan-2-ol;chloride;hydrate
CID 53314058

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol (CID 112607256) is 1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol is Cc1cccc(CN)c1OCC(C)O.
What is the InChIKey of 1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol?
The InChIKey is YXIHWHMXFIFRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-4-3-5-10(6-12)11(8)14-7-9(2)13/h3-5,9,13H,6-7,12H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol?
1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol has a molecular weight of 195.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol is sourced from PubChem (CID 112607256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).