1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol

C11H17NO2 — CID 130041488

IUPAC1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol
SMILESCc1cccc(CO)c1C(N)C(C)O
InChIInChI=1S/C11H17NO2/c1-7-4-3-5-9(6-13)10(7)11(12)8(2)14/h3-5,8,11,13-14H,6,12H2,1-2H3
InChIKeyLDTZSMHVYNBHNF-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.87
Rot. Bonds3

About 1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol

1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol (PubChem CID 130041488) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol.

Molecular Properties

Compound Name1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol
PubChem CID130041488
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol
SMILESCc1cccc(CO)c1C(N)C(C)O
InChIInChI=1S/C11H17NO2/c1-7-4-3-5-9(6-13)10(7)11(12)8(2)14/h3-5,8,11,13-14H,6,12H2,1-2H3
InChIKeyLDTZSMHVYNBHNF-UHFFFAOYSA-N
XLogP0.87
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(1R)-1-amino-2-methylpropyl]-3-methylphenyl]methanol
CID 130665591
2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol
CID 130042273
1-amino-1-(2-chloro-6-methylphenyl)propan-2-ol
CID 55270715
[2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol
CID 130042268
(1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol
CID 131209275
2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol
CID 130059979
(1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol
CID 130692242
3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol
CID 112612422
2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol
CID 131181882
(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
(1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol
CID 162967922

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol?
The IUPAC name of 1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol (CID 130041488) is 1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol.
What is the SMILES notation for 1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol?
The canonical SMILES for 1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol is Cc1cccc(CO)c1C(N)C(C)O.
What is the InChIKey of 1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol?
The InChIKey is LDTZSMHVYNBHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-4-3-5-9(6-13)10(7)11(12)8(2)14/h3-5,8,11,13-14H,6,12H2,1-2H3.
What are the key properties of 1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol?
1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol has a molecular weight of 195.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[2-(hydroxymethyl)-6-methylphenyl]propan-2-ol is sourced from PubChem (CID 130041488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).