(2R)-1-(2-benzylsulfanylphenyl)propan-2-amine

C16H19NS — CID 124557626

IUPAC(2R)-1-(2-benzylsulfanylphenyl)propan-2-amine
SMILESC[C@@H](N)Cc1ccccc1SCc1ccccc1
InChIInChI=1S/C16H19NS/c1-13(17)11-15-9-5-6-10-16(15)18-12-14-7-3-2-4-8-14/h2-10,13H,11-12,17H2,1H3/t13-/m1/s1
InChIKeyAIHIIKDUBOASSA-CYBMUJFWSA-N
MW257.40 g/mol
LogP3.87
Rot. Bonds5

About (2R)-1-(2-benzylsulfanylphenyl)propan-2-amine

(2R)-1-(2-benzylsulfanylphenyl)propan-2-amine (PubChem CID 124557626) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is (2R)-1-(2-benzylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2-benzylsulfanylphenyl)propan-2-amine
PubChem CID124557626
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name(2R)-1-(2-benzylsulfanylphenyl)propan-2-amine
SMILESC[C@@H](N)Cc1ccccc1SCc1ccccc1
InChIInChI=1S/C16H19NS/c1-13(17)11-15-9-5-6-10-16(15)18-12-14-7-3-2-4-8-14/h2-10,13H,11-12,17H2,1H3/t13-/m1/s1
InChIKeyAIHIIKDUBOASSA-CYBMUJFWSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzylsulfanyl-2-(2-methylpropyl)benzene
CID 57222449
1-(2-benzylsulfanyl-5-chlorophenyl)propan-2-amine
CID 114865844
1-[2-(2-methoxyethylsulfanyl)phenyl]propan-2-amine
CID 63818813
1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene
CID 5199420
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
ethylbenzene;1-(2-iodophenyl)propan-2-amine
CID 70550736
azane;1-phenylpropan-2-amine
CID 67350534
1-benzylsulfanyl-2-propan-2-ylbenzene
CID 54415712
1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651207
(1S)-1-(2-benzylsulfanylphenyl)propan-1-amine
CID 103959471
potassium;1-phenylpropan-2-amine;iodide
CID 70390373
(1R)-1-(2-benzylsulfanylphenyl)ethanol
CID 63812589

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-benzylsulfanylphenyl)propan-2-amine?
The IUPAC name of (2R)-1-(2-benzylsulfanylphenyl)propan-2-amine (CID 124557626) is (2R)-1-(2-benzylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(2-benzylsulfanylphenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(2-benzylsulfanylphenyl)propan-2-amine is C[C@@H](N)Cc1ccccc1SCc1ccccc1.
What is the InChIKey of (2R)-1-(2-benzylsulfanylphenyl)propan-2-amine?
The InChIKey is AIHIIKDUBOASSA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19NS/c1-13(17)11-15-9-5-6-10-16(15)18-12-14-7-3-2-4-8-14/h2-10,13H,11-12,17H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-(2-benzylsulfanylphenyl)propan-2-amine?
(2R)-1-(2-benzylsulfanylphenyl)propan-2-amine has a molecular weight of 257.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-benzylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 124557626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).