[2-[4-(propan-2-ylsulfonylmethyl)phenyl]phenyl]methanamine

C17H21NO2S — CID 64697236

IUPAC[2-[4-(propan-2-ylsulfonylmethyl)phenyl]phenyl]methanamine
SMILESCC(C)S(=O)(=O)Cc1ccc(-c2ccccc2CN)cc1
InChIInChI=1S/C17H21NO2S/c1-13(2)21(19,20)12-14-7-9-15(10-8-14)17-6-4-3-5-16(17)11-18/h3-10,13H,11-12,18H2,1-2H3
InChIKeyJETMEFVTSZPFHC-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.14
Rot. Bonds5

About [2-[4-(propan-2-ylsulfonylmethyl)phenyl]phenyl]methanamine

[2-[4-(propan-2-ylsulfonylmethyl)phenyl]phenyl]methanamine (PubChem CID 64697236) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is [2-[4-(propan-2-ylsulfonylmethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[4-(propan-2-ylsulfonylmethyl)phenyl]phenyl]methanamine
PubChem CID64697236
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name[2-[4-(propan-2-ylsulfonylmethyl)phenyl]phenyl]methanamine
SMILESCC(C)S(=O)(=O)Cc1ccc(-c2ccccc2CN)cc1
InChIInChI=1S/C17H21NO2S/c1-13(2)21(19,20)12-14-7-9-15(10-8-14)17-6-4-3-5-16(17)11-18/h3-10,13H,11-12,18H2,1-2H3
InChIKeyJETMEFVTSZPFHC-UHFFFAOYSA-N
XLogP3.14
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(propan-2-ylsulfonylmethyl)phenyl]phenyl]methanamine?
The IUPAC name of [2-[4-(propan-2-ylsulfonylmethyl)phenyl]phenyl]methanamine (CID 64697236) is [2-[4-(propan-2-ylsulfonylmethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [2-[4-(propan-2-ylsulfonylmethyl)phenyl]phenyl]methanamine?
The canonical SMILES for [2-[4-(propan-2-ylsulfonylmethyl)phenyl]phenyl]methanamine is CC(C)S(=O)(=O)Cc1ccc(-c2ccccc2CN)cc1.
What is the InChIKey of [2-[4-(propan-2-ylsulfonylmethyl)phenyl]phenyl]methanamine?
The InChIKey is JETMEFVTSZPFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-13(2)21(19,20)12-14-7-9-15(10-8-14)17-6-4-3-5-16(17)11-18/h3-10,13H,11-12,18H2,1-2H3.
What are the key properties of [2-[4-(propan-2-ylsulfonylmethyl)phenyl]phenyl]methanamine?
[2-[4-(propan-2-ylsulfonylmethyl)phenyl]phenyl]methanamine has a molecular weight of 303.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(propan-2-ylsulfonylmethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 64697236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).