(2R)-N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine

C11H17NS — CID 57466362

IUPAC(2R)-N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine
SMILESCN[C@H](C)Cc1ccc(SC)cc1
InChIInChI=1S/C11H17NS/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9,12H,8H2,1-3H3/t9-/m1/s1
InChIKeyWWHIYWVWPXXBTC-SECBINFHSA-N
MW195.33 g/mol
LogP2.56
Rot. Bonds4

About (2R)-N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine

(2R)-N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine (PubChem CID 57466362) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (2R)-N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine
PubChem CID57466362
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(2R)-N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine
SMILESCN[C@H](C)Cc1ccc(SC)cc1
InChIInChI=1S/C11H17NS/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9,12H,8H2,1-3H3/t9-/m1/s1
InChIKeyWWHIYWVWPXXBTC-SECBINFHSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N,N-dimethyl-1-[4-(methylsulfanyl)phenyl]propan-2-amine
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(S)-2-amino-1-(4-butylthiophenyl)-propane
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CID 43565977
2-Amino-1-(4-ethylthiophenyl)propane
CID 44399737
(S)-2-amino-1-(4-methylthiophenyl)-propane
CID 44424446
(S)-2-amino-1-(4-ethylthiophenyl)-propane
CID 44424447
(S)-2-amino-1-(4-propylthiophenyl)-propane
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2-N-Allylamino-1-(4-methylthiophenyl)propan
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine?
The IUPAC name of (2R)-N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine (CID 57466362) is (2R)-N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for (2R)-N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine?
The canonical SMILES for (2R)-N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine is CN[C@H](C)Cc1ccc(SC)cc1.
What is the InChIKey of (2R)-N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine?
The InChIKey is WWHIYWVWPXXBTC-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NS/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9,12H,8H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine?
(2R)-N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine has a molecular weight of 195.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-1-(4-methylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 57466362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).