(2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine

C17H21NO — CID 14796882

IUPAC(2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine
SMILESCc1cccc(C)c1OC[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H21NO/c1-13-7-6-8-14(2)17(13)19-12-16(18)11-15-9-4-3-5-10-15/h3-10,16H,11-12,18H2,1-2H3/t16-/m0/s1
InChIKeyZAEMMWJTFWLIMU-INIZCTEOSA-N
MW255.36 g/mol
LogP3.25
Rot. Bonds5

About (2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine

(2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine (PubChem CID 14796882) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine
PubChem CID14796882
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine
SMILESCc1cccc(C)c1OC[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H21NO/c1-13-7-6-8-14(2)17(13)19-12-16(18)11-15-9-4-3-5-10-15/h3-10,16H,11-12,18H2,1-2H3/t16-/m0/s1
InChIKeyZAEMMWJTFWLIMU-INIZCTEOSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenoxy)-3-phenylpropan-2-amine
CID 117241547
(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine
CID 10377047
(2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine
CID 35753956
(2-amino-3-phenylpropyl) 2-methylbenzoate
CID 162385429
1-phenyl-3-phenylmethoxypropan-2-amine
CID 12815227
1-(2-amino-3-phenylpropoxy)ethenol
CID 91268849
2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine
CID 43100320
1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
CID 3391401
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
3-(2-amino-3-phenylpropoxy)benzonitrile
CID 131879625
1,3-dimethyl-2-(4-phenylbutoxy)benzene
CID 114334885
1-(2-methyl-6-propylphenoxy)butan-2-amine
CID 45097705

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine?
The IUPAC name of (2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine (CID 14796882) is (2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine.
What is the SMILES notation for (2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine?
The canonical SMILES for (2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine is Cc1cccc(C)c1OC[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine?
The InChIKey is ZAEMMWJTFWLIMU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-7-6-8-14(2)17(13)19-12-16(18)11-15-9-4-3-5-10-15/h3-10,16H,11-12,18H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine?
(2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine is sourced from PubChem (CID 14796882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).