(1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine

C16H19NO3S — CID 103959322

IUPAC(1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H19NO3S/c1-3-15(17)14-6-4-5-7-16(14)20-12-8-10-13(11-9-12)21(2,18)19/h4-11,15H,3,17H2,1-2H3/t15-/m1/s1
InChIKeyNSVMAMHTAAILQI-OAHLLOKOSA-N
MW305.40 g/mol
LogP3.29
Rot. Bonds5

About (1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine

(1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine (PubChem CID 103959322) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is (1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine
PubChem CID103959322
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name(1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H19NO3S/c1-3-15(17)14-6-4-5-7-16(14)20-12-8-10-13(11-9-12)21(2,18)19/h4-11,15H,3,17H2,1-2H3/t15-/m1/s1
InChIKeyNSVMAMHTAAILQI-OAHLLOKOSA-N
XLogP3.29
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-nitrophenoxy)phenyl]propan-1-amine
CID 115995641
(1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine
CID 103959232
(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 103959252
1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 112678409
(1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine
CID 103719165
(1S)-1-[2-(2-nitrophenoxy)phenyl]propan-1-amine
CID 103739059
(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine
CID 115853675
(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
CID 103959328
1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine
CID 115995673
(1R)-1-[2-(3-methoxyphenoxy)phenyl]propan-1-amine
CID 103739046
1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-amine
CID 112678379
1-[2-(2-methylphenoxy)phenyl]propan-1-amine
CID 112678413

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine (CID 103959322) is (1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1Oc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine?
The InChIKey is NSVMAMHTAAILQI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-15(17)14-6-4-5-7-16(14)20-12-8-10-13(11-9-12)21(2,18)19/h4-11,15H,3,17H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine?
(1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine has a molecular weight of 305.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 103959322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).