(2R)-1-(2,6-dimethylphenoxy)-3-methylbutan-2-amine

C13H21NO — CID 44593029

IUPAC(2R)-1-(2,6-dimethylphenoxy)-3-methylbutan-2-amine
SMILESCc1cccc(C)c1OC[C@H](N)C(C)C
InChIInChI=1S/C13H21NO/c1-9(2)12(14)8-15-13-10(3)6-5-7-11(13)4/h5-7,9,12H,8,14H2,1-4H3/t12-/m0/s1
InChIKeyYONZEVQTIYSTAP-LBPRGKRZSA-N
MW207.32 g/mol
LogP2.67
Rot. Bonds4

About (2R)-1-(2,6-dimethylphenoxy)-3-methylbutan-2-amine

(2R)-1-(2,6-dimethylphenoxy)-3-methylbutan-2-amine (PubChem CID 44593029) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R)-1-(2,6-dimethylphenoxy)-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2,6-dimethylphenoxy)-3-methylbutan-2-amine
PubChem CID44593029
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R)-1-(2,6-dimethylphenoxy)-3-methylbutan-2-amine
SMILESCc1cccc(C)c1OC[C@H](N)C(C)C
InChIInChI=1S/C13H21NO/c1-9(2)12(14)8-15-13-10(3)6-5-7-11(13)4/h5-7,9,12H,8,14H2,1-4H3/t12-/m0/s1
InChIKeyYONZEVQTIYSTAP-LBPRGKRZSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,6-dimethylphenoxy)-3-methylbutan-2-amine?
The IUPAC name of (2R)-1-(2,6-dimethylphenoxy)-3-methylbutan-2-amine (CID 44593029) is (2R)-1-(2,6-dimethylphenoxy)-3-methylbutan-2-amine.
What is the SMILES notation for (2R)-1-(2,6-dimethylphenoxy)-3-methylbutan-2-amine?
The canonical SMILES for (2R)-1-(2,6-dimethylphenoxy)-3-methylbutan-2-amine is Cc1cccc(C)c1OC[C@H](N)C(C)C.
What is the InChIKey of (2R)-1-(2,6-dimethylphenoxy)-3-methylbutan-2-amine?
The InChIKey is YONZEVQTIYSTAP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)12(14)8-15-13-10(3)6-5-7-11(13)4/h5-7,9,12H,8,14H2,1-4H3/t12-/m0/s1.
What are the key properties of (2R)-1-(2,6-dimethylphenoxy)-3-methylbutan-2-amine?
(2R)-1-(2,6-dimethylphenoxy)-3-methylbutan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,6-dimethylphenoxy)-3-methylbutan-2-amine is sourced from PubChem (CID 44593029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).