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

C13H21NO3S — CID 64630766

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine
SMILESCOCc1ccccc1CNC(C)CS(C)(=O)=O
InChIInChI=1S/C13H21NO3S/c1-11(10-18(3,15)16)14-8-12-6-4-5-7-13(12)9-17-2/h4-7,11,14H,8-10H2,1-3H3
InChIKeyRCQUWHUYRUQRED-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.36
Rot. Bonds7

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

N-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine (PubChem CID 64630766) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine
PubChem CID64630766
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine
SMILESCOCc1ccccc1CNC(C)CS(C)(=O)=O
InChIInChI=1S/C13H21NO3S/c1-11(10-18(3,15)16)14-8-12-6-4-5-7-13(12)9-17-2/h4-7,11,14H,8-10H2,1-3H3
InChIKeyRCQUWHUYRUQRED-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861778
4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861814
2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide
CID 64629794
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfonylethanamine
CID 54861557
(1R)-1-cyclopentyl-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 81395717
6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine
CID 116534560
3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol
CID 65338098
N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 79763044
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 64988656
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 103924687
N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540165
1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine (CID 64630766) is N-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine is COCc1ccccc1CNC(C)CS(C)(=O)=O.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is RCQUWHUYRUQRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-11(10-18(3,15)16)14-8-12-6-4-5-7-13(12)9-17-2/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine?
N-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 64630766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).