N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine

C16H19NOS — CID 64657051

IUPACN-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine
SMILESCNC(CS(=O)c1cccc(C)c1)c1ccccc1
InChIInChI=1S/C16H19NOS/c1-13-7-6-10-15(11-13)19(18)12-16(17-2)14-8-4-3-5-9-14/h3-11,16-17H,12H2,1-2H3
InChIKeyUELFRKSMJWMWQF-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.06
Rot. Bonds5

About N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine

N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine (PubChem CID 64657051) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine.

Molecular Properties

Compound NameN-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine
PubChem CID64657051
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine
SMILESCNC(CS(=O)c1cccc(C)c1)c1ccccc1
InChIInChI=1S/C16H19NOS/c1-13-7-6-10-15(11-13)19(18)12-16(17-2)14-8-4-3-5-9-14/h3-11,16-17H,12H2,1-2H3
InChIKeyUELFRKSMJWMWQF-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 64659524
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine
CID 64651990
2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64659824
N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine
CID 64656239
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine
CID 64658277
N-methyl-2-(3-methylphenyl)sulfinylethanamine
CID 64655016
N-[2-(benzenesulfinyl)-1-phenylethyl]propan-1-amine
CID 64659428
2-[(4-chlorophenyl)methylsulfinyl]-N-methyl-1-(3-methylphenyl)ethanamine
CID 114792263
2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine
CID 64651801
2-(3-methylphenyl)sulfinyl-1-phenylethanone
CID 64639967
N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine
CID 64659975
methyl N-[(1S)-1-phenyl-2-[(S)-phenylsulfinyl]ethyl]carbamate
CID 11034025

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine?
The IUPAC name of N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine (CID 64657051) is N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine.
What is the SMILES notation for N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine?
The canonical SMILES for N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine is CNC(CS(=O)c1cccc(C)c1)c1ccccc1.
What is the InChIKey of N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine?
The InChIKey is UELFRKSMJWMWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-13-7-6-10-15(11-13)19(18)12-16(17-2)14-8-4-3-5-9-14/h3-11,16-17H,12H2,1-2H3.
What are the key properties of N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine?
N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine is sourced from PubChem (CID 64657051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).