(2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol

C11H17NO2 — CID 131076413

IUPAC(2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol
SMILESCOc1c(C)cccc1[C@](C)(N)CO
InChIInChI=1S/C11H17NO2/c1-8-5-4-6-9(10(8)14-3)11(2,12)7-13/h4-6,13H,7,12H2,1-3H3/t11-/m1/s1
InChIKeyIEBSRBZWCWNVLN-LLVKDONJSA-N
MW195.26 g/mol
LogP1.17
Rot. Bonds3

About (2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol

(2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol (PubChem CID 131076413) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol
PubChem CID131076413
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol
SMILESCOc1c(C)cccc1[C@](C)(N)CO
InChIInChI=1S/C11H17NO2/c1-8-5-4-6-9(10(8)14-3)11(2,12)7-13/h4-6,13H,7,12H2,1-3H3/t11-/m1/s1
InChIKeyIEBSRBZWCWNVLN-LLVKDONJSA-N
XLogP1.17
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390
(2R)-2-amino-2-(2-methoxy-6-methylphenyl)propan-1-ol
CID 55268996
ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate
CID 105497849
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol
CID 117297885
2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol
CID 55293123
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
2-amino-2-(2-chlorophenyl)propan-1-ol
CID 54776181
(3R)-3-amino-3-(2-iodo-3-methylphenyl)butan-1-ol
CID 130642126
2-amino-2-(2-fluoro-6-methylphenyl)propan-1-ol
CID 55294765
(2S)-2-amino-2-(2-amino-3-fluorophenyl)propan-1-ol
CID 130702904
3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol
CID 83685742
2-(2-tert-butyl-6-methylphenoxy)ethanethioamide
CID 7745474

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol (CID 131076413) is (2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol is COc1c(C)cccc1[C@](C)(N)CO.
What is the InChIKey of (2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol?
The InChIKey is IEBSRBZWCWNVLN-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-5-4-6-9(10(8)14-3)11(2,12)7-13/h4-6,13H,7,12H2,1-3H3/t11-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol?
(2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 131076413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).