N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine

C14H23NO3S — CID 104518588

IUPACN-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1ccc(OC)cc1C)C(C)S(C)(=O)=O
InChIInChI=1S/C14H23NO3S/c1-6-15-14(11(3)19(5,16)17)13-8-7-12(18-4)9-10(13)2/h7-9,11,14-15H,6H2,1-5H3
InChIKeyYRILJGYVAZXBSO-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.09
Rot. Bonds6

About N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine

N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine (PubChem CID 104518588) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine
PubChem CID104518588
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1ccc(OC)cc1C)C(C)S(C)(=O)=O
InChIInChI=1S/C14H23NO3S/c1-6-15-14(11(3)19(5,16)17)13-8-7-12(18-4)9-10(13)2/h7-9,11,14-15H,6H2,1-5H3
InChIKeyYRILJGYVAZXBSO-UHFFFAOYSA-N
XLogP2.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 43490085
1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518757
2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83153801
2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine
CID 116721568
1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-ol
CID 113422305
1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 113422000
1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518885
1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 43495595
1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 43482752
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65318131
N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-methylsulfonylpropan-1-amine
CID 104518932
1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984646

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine (CID 104518588) is N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine is CCNC(c1ccc(OC)cc1C)C(C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine?
The InChIKey is YRILJGYVAZXBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-6-15-14(11(3)19(5,16)17)13-8-7-12(18-4)9-10(13)2/h7-9,11,14-15H,6H2,1-5H3.
What are the key properties of N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine?
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 104518588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).