(2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine

C12H19NO2 — CID 39110010

IUPAC(2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine
SMILESCOc1ccccc1OC[C@@H](N)C(C)C
InChIInChI=1S/C12H19NO2/c1-9(2)10(13)8-15-12-7-5-4-6-11(12)14-3/h4-7,9-10H,8,13H2,1-3H3/t10-/m1/s1
InChIKeyMXPQLUKMJYCGBT-SNVBAGLBSA-N
MW209.29 g/mol
LogP2.06
Rot. Bonds5

About (2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine

(2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine (PubChem CID 39110010) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine
PubChem CID39110010
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine
SMILESCOc1ccccc1OC[C@@H](N)C(C)C
InChIInChI=1S/C12H19NO2/c1-9(2)10(13)8-15-12-7-5-4-6-11(12)14-3/h4-7,9-10H,8,13H2,1-3H3/t10-/m1/s1
InChIKeyMXPQLUKMJYCGBT-SNVBAGLBSA-N
XLogP2.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine
CID 39109828
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
2-(2-methoxyphenoxy)-1-(4-methylphenyl)ethanamine
CID 16783711
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine
CID 117241707
N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide
CID 56921687
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
2-(2-methoxyphenoxy)-1-(5-methylfuran-2-yl)ethanamine
CID 16795378
1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16785142
3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine
CID 103366694
1-methoxy-2-[(2R)-2-methoxy-2-phenylethoxy]benzene
CID 139888688
1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16783272

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine?
The IUPAC name of (2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine (CID 39110010) is (2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine.
What is the SMILES notation for (2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine?
The canonical SMILES for (2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine is COc1ccccc1OC[C@@H](N)C(C)C.
What is the InChIKey of (2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine?
The InChIKey is MXPQLUKMJYCGBT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)10(13)8-15-12-7-5-4-6-11(12)14-3/h4-7,9-10H,8,13H2,1-3H3/t10-/m1/s1.
What are the key properties of (2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine?
(2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine is sourced from PubChem (CID 39110010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).