N-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine

C13H21NO2S — CID 115764049

IUPACN-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine
SMILESCOCc1ccc(CNCC(C)S(C)=O)cc1
InChIInChI=1S/C13H21NO2S/c1-11(17(3)15)8-14-9-12-4-6-13(7-5-12)10-16-2/h4-7,11,14H,8-10H2,1-3H3
InChIKeyKNHTWXLTDBKCNV-UHFFFAOYSA-N
MW255.38 g/mol
LogP1.69
Rot. Bonds7

About N-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine

N-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine (PubChem CID 115764049) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine
PubChem CID115764049
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine
SMILESCOCc1ccc(CNCC(C)S(C)=O)cc1
InChIInChI=1S/C13H21NO2S/c1-11(17(3)15)8-14-9-12-4-6-13(7-5-12)10-16-2/h4-7,11,14H,8-10H2,1-3H3
InChIKeyKNHTWXLTDBKCNV-UHFFFAOYSA-N
XLogP1.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763989
(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 103884134
N-[[4-(3-methylbutoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine
CID 115764090
2-methylsulfinyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 115764125
2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide
CID 106170747
methyl 4-[(3-methylsulfinylbutylamino)methyl]benzoate
CID 115924396
(2R)-2-[(R)-methylsulfinyl]-N-[(3-nitrophenyl)methyl]propan-1-amine
CID 97241565
N-[(5-methoxythiophen-2-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764056
N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763904
2-methylsulfinyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 115763905
N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine
CID 60753020

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine (CID 115764049) is N-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine is COCc1ccc(CNCC(C)S(C)=O)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine?
The InChIKey is KNHTWXLTDBKCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-11(17(3)15)8-14-9-12-4-6-13(7-5-12)10-16-2/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine?
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine has a molecular weight of 255.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine is sourced from PubChem (CID 115764049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).