(2S)-1-(2,6-dimethylphenoxy)-N-[(2R)-1-methylsulfanylpropan-2-yl]propan-2-amine

C15H25NOS — CID 29185170

IUPAC(2S)-1-(2,6-dimethylphenoxy)-N-[(2R)-1-methylsulfanylpropan-2-yl]propan-2-amine
SMILESCSC[C@@H](C)N[C@@H](C)COc1c(C)cccc1C
InChIInChI=1S/C15H25NOS/c1-11-7-6-8-12(2)15(11)17-9-13(3)16-14(4)10-18-5/h6-8,13-14,16H,9-10H2,1-5H3/t13-,14+/m0/s1
InChIKeySCBFLUCRSJJJBR-UONOGXRCSA-N
MW267.44 g/mol
LogP3.41
Rot. Bonds7

About (2S)-1-(2,6-dimethylphenoxy)-N-[(2R)-1-methylsulfanylpropan-2-yl]propan-2-amine

(2S)-1-(2,6-dimethylphenoxy)-N-[(2R)-1-methylsulfanylpropan-2-yl]propan-2-amine (PubChem CID 29185170) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is (2S)-1-(2,6-dimethylphenoxy)-N-[(2R)-1-methylsulfanylpropan-2-yl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2,6-dimethylphenoxy)-N-[(2R)-1-methylsulfanylpropan-2-yl]propan-2-amine
PubChem CID29185170
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name(2S)-1-(2,6-dimethylphenoxy)-N-[(2R)-1-methylsulfanylpropan-2-yl]propan-2-amine
SMILESCSC[C@@H](C)N[C@@H](C)COc1c(C)cccc1C
InChIInChI=1S/C15H25NOS/c1-11-7-6-8-12(2)15(11)17-9-13(3)16-14(4)10-18-5/h6-8,13-14,16H,9-10H2,1-5H3/t13-,14+/m0/s1
InChIKeySCBFLUCRSJJJBR-UONOGXRCSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylphenoxy)-N-(methyldisulfanyl)propan-2-amine
CID 123873902
1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride
CID 164623376
2-(2-isocyanopropoxy)-1,3-dimethylbenzene
CID 71319489
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119745978
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 164614215
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
1-(2,6-dimethylphenoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63967301
2-(cyclopropylmethylamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide;hydrochloride
CID 119745985
4-[[1-(2,6-dimethylphenoxy)propan-2-ylamino]methyl]-3-methylphenol
CID 154293531
1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine
CID 62040818
(3R)-N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]oxolan-3-amine
CID 99849083
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,6-dimethylphenoxy)-N-[(2R)-1-methylsulfanylpropan-2-yl]propan-2-amine?
The IUPAC name of (2S)-1-(2,6-dimethylphenoxy)-N-[(2R)-1-methylsulfanylpropan-2-yl]propan-2-amine (CID 29185170) is (2S)-1-(2,6-dimethylphenoxy)-N-[(2R)-1-methylsulfanylpropan-2-yl]propan-2-amine.
What is the SMILES notation for (2S)-1-(2,6-dimethylphenoxy)-N-[(2R)-1-methylsulfanylpropan-2-yl]propan-2-amine?
The canonical SMILES for (2S)-1-(2,6-dimethylphenoxy)-N-[(2R)-1-methylsulfanylpropan-2-yl]propan-2-amine is CSC[C@@H](C)N[C@@H](C)COc1c(C)cccc1C.
What is the InChIKey of (2S)-1-(2,6-dimethylphenoxy)-N-[(2R)-1-methylsulfanylpropan-2-yl]propan-2-amine?
The InChIKey is SCBFLUCRSJJJBR-UONOGXRCSA-N. The full InChI is InChI=1S/C15H25NOS/c1-11-7-6-8-12(2)15(11)17-9-13(3)16-14(4)10-18-5/h6-8,13-14,16H,9-10H2,1-5H3/t13-,14+/m0/s1.
What are the key properties of (2S)-1-(2,6-dimethylphenoxy)-N-[(2R)-1-methylsulfanylpropan-2-yl]propan-2-amine?
(2S)-1-(2,6-dimethylphenoxy)-N-[(2R)-1-methylsulfanylpropan-2-yl]propan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,6-dimethylphenoxy)-N-[(2R)-1-methylsulfanylpropan-2-yl]propan-2-amine is sourced from PubChem (CID 29185170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).