N-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine

C14H23NO3S — CID 106722446

IUPACN-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine
SMILESCNCc1cccc(C)c1OCCS(=O)(=O)C(C)C
InChIInChI=1S/C14H23NO3S/c1-11(2)19(16,17)9-8-18-14-12(3)6-5-7-13(14)10-15-4/h5-7,11,15H,8-10H2,1-4H3
InChIKeyVMCURQMEQRQDRI-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.92
Rot. Bonds7

About N-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine

N-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine (PubChem CID 106722446) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine
PubChem CID106722446
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine
SMILESCNCc1cccc(C)c1OCCS(=O)(=O)C(C)C
InChIInChI=1S/C14H23NO3S/c1-11(2)19(16,17)9-8-18-14-12(3)6-5-7-13(14)10-15-4/h5-7,11,15H,8-10H2,1-4H3
InChIKeyVMCURQMEQRQDRI-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
1-(2-decoxy-3-methylphenyl)-N-methylmethanamine
CID 115952261
1-[2-(4,4-dimethylpentoxy)-3-methylphenyl]-N-methylmethanamine
CID 114209330
1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine
CID 61390154
N,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide
CID 112608394
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438
1-[3-chloro-2-(3-methylsulfonylpropoxy)phenyl]-N-methylmethanamine
CID 112608503
1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608407
N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine
CID 112608358
N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 112608398
1-(chloromethyl)-3-methyl-2-(2-methylsulfonylethoxy)benzene
CID 112613387

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine (CID 106722446) is N-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine is CNCc1cccc(C)c1OCCS(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine?
The InChIKey is VMCURQMEQRQDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11(2)19(16,17)9-8-18-14-12(3)6-5-7-13(14)10-15-4/h5-7,11,15H,8-10H2,1-4H3.
What are the key properties of N-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine?
N-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine has a molecular weight of 285.41 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine is sourced from PubChem (CID 106722446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).