(1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine

C15H17NO2S — CID 171383542

IUPAC(1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(-c2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C15H17NO2S/c1-11(16)12-5-3-6-13(9-12)14-7-4-8-15(10-14)19(2,17)18/h3-11H,16H2,1-2H3/t11-/m1/s1
InChIKeyNGSLXGKLYBCGOZ-LLVKDONJSA-N
MW275.37 g/mol
LogP2.78
Rot. Bonds3

About (1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine

(1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine (PubChem CID 171383542) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is (1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine
PubChem CID171383542
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name(1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(-c2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C15H17NO2S/c1-11(16)12-5-3-6-13(9-12)14-7-4-8-15(10-14)19(2,17)18/h3-11H,16H2,1-2H3/t11-/m1/s1
InChIKeyNGSLXGKLYBCGOZ-LLVKDONJSA-N
XLogP2.78
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide
CID 59506232
(1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344134
1-(difluoromethyl)-3-methylsulfonylbenzene
CID 154791321
(1S)-2,2,2-trifluoro-1-(3-methylsulfonylphenyl)ethanamine;hydrochloride
CID 162344458
1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 43807091
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
2-methyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 105017402
1-[3-(4-fluorophenyl)phenyl]ethanamine
CID 61026318
1-[3-(3,5-difluorophenyl)phenyl]ethanamine
CID 54911738
N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192
4-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 170341986
(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine (CID 171383542) is (1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine is C[C@@H](N)c1cccc(-c2cccc(S(C)(=O)=O)c2)c1.
What is the InChIKey of (1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine?
The InChIKey is NGSLXGKLYBCGOZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11(16)12-5-3-6-13(9-12)14-7-4-8-15(10-14)19(2,17)18/h3-11H,16H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine?
(1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine has a molecular weight of 275.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine is sourced from PubChem (CID 171383542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).