(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine

C16H19NO — CID 10377047

IUPAC(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine
SMILESCc1cccc(C)c1OC[C@H](N)c1ccccc1
InChIInChI=1S/C16H19NO/c1-12-7-6-8-13(2)16(12)18-11-15(17)14-9-4-3-5-10-14/h3-10,15H,11,17H2,1-2H3/t15-/m0/s1
InChIKeyJOWUPKGSTQTEBZ-HNNXBMFYSA-N
MW241.33 g/mol
LogP3.38
Rot. Bonds4

About (1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine

(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine (PubChem CID 10377047) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine
PubChem CID10377047
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine
SMILESCc1cccc(C)c1OC[C@H](N)c1ccccc1
InChIInChI=1S/C16H19NO/c1-12-7-6-8-13(2)16(12)18-11-15(17)14-9-4-3-5-10-14/h3-10,15H,11,17H2,1-2H3/t15-/m0/s1
InChIKeyJOWUPKGSTQTEBZ-HNNXBMFYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
CID 30429316
2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine
CID 43100320
(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
CID 164614673
(2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine
CID 14796882
2-(3,4-dimethylphenoxy)-1-phenylethanamine
CID 16786157
N-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide
CID 119529545
2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162339872
2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine
CID 43093894
(1S)-2-phenoxy-1-phenylethanamine;hydrochloride
CID 131882540
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579
[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-[(1R)-1-phenylethyl]azanium
CID 7733701

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine?
The IUPAC name of (1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine (CID 10377047) is (1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine.
What is the SMILES notation for (1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine?
The canonical SMILES for (1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine is Cc1cccc(C)c1OC[C@H](N)c1ccccc1.
What is the InChIKey of (1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine?
The InChIKey is JOWUPKGSTQTEBZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-7-6-8-13(2)16(12)18-11-15(17)14-9-4-3-5-10-14/h3-10,15H,11,17H2,1-2H3/t15-/m0/s1.
What are the key properties of (1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine?
(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine is sourced from PubChem (CID 10377047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).