N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine

C18H23NOS — CID 103897213

IUPACN-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine
SMILESCC(CNCC(c1ccccc1)c1ccccc1)S(C)=O
InChIInChI=1S/C18H23NOS/c1-15(21(2)20)13-19-14-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3
InChIKeyPYJLMCDDOXUWBS-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.18
Rot. Bonds7

About N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine

N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine (PubChem CID 103897213) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine
PubChem CID103897213
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine
SMILESCC(CNCC(c1ccccc1)c1ccccc1)S(C)=O
InChIInChI=1S/C18H23NOS/c1-15(21(2)20)13-19-14-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3
InChIKeyPYJLMCDDOXUWBS-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine
CID 115898754
N-(1,2-diphenylethyl)-2-methylsulfinylpropan-1-amine
CID 115896303
N-(2,2-diphenylethyl)-2-methylbutan-1-amine
CID 107292737
2-methylsulfinyl-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 115974879
N-(2,2-diphenylethyl)-2-ethylbutan-1-amine
CID 103603252
N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763904
[(1R)-1-methylsulfinylethyl]benzene
CID 15685613
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
[[(R)-methylsulfinyl]-phenylmethyl]benzene
CID 124577636
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764108
2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 115896237
N-(2-methylsulfinylethyl)-2-phenylpropan-1-amine
CID 115763450

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine?
The IUPAC name of N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine (CID 103897213) is N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine?
The canonical SMILES for N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine is CC(CNCC(c1ccccc1)c1ccccc1)S(C)=O.
What is the InChIKey of N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine?
The InChIKey is PYJLMCDDOXUWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-15(21(2)20)13-19-14-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3.
What are the key properties of N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine?
N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine has a molecular weight of 301.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine is sourced from PubChem (CID 103897213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).