2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine

C17H21NO2S — CID 64659622

IUPAC2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(N)CS(=O)c2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-13(2)20-15-10-8-14(9-11-15)17(18)12-21(19)16-6-4-3-5-7-16/h3-11,13,17H,12,18H2,1-2H3
InChIKeyUUFQMYJAHXKOIQ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.28
Rot. Bonds6

About 2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine

2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 64659622) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID64659622
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(N)CS(=O)c2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-13(2)20-15-10-8-14(9-11-15)17(18)12-21(19)16-6-4-3-5-7-16/h3-11,13,17H,12,18H2,1-2H3
InChIKeyUUFQMYJAHXKOIQ-UHFFFAOYSA-N
XLogP3.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine
CID 64658254
1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine
CID 64659260
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine
CID 64659861
2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 54944095
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
CID 78960186
2-(2-methylpropylsulfonyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64646414
ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 4201753
(2R)-1-(benzenesulfinyl)propan-2-ol
CID 101158828
2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine
CID 64650785

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine (CID 64659622) is 2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc(C(N)CS(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is UUFQMYJAHXKOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-13(2)20-15-10-8-14(9-11-15)17(18)12-21(19)16-6-4-3-5-7-16/h3-11,13,17H,12,18H2,1-2H3.
What are the key properties of 2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 303.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 64659622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).