2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine

C14H23NO3S — CID 115724383

IUPAC2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
SMILESCCOC(C)CNC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-5-18-11(2)10-15-12(3)13-6-8-14(9-7-13)19(4,16)17/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyPEYLBXMPZIHMCZ-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.17
Rot. Bonds7

About 2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine

2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine (PubChem CID 115724383) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
PubChem CID115724383
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
SMILESCCOC(C)CNC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-5-18-11(2)10-15-12(3)13-6-8-14(9-7-13)19(4,16)17/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyPEYLBXMPZIHMCZ-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 115724375
2,2-dimethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]ethanamine
CID 60817783
N,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide
CID 115576547
1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol
CID 110896898
N-[1-(4-methylsulfonylphenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43207436
2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide
CID 175563500
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide
CID 94211223
3-butoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
CID 115704386
ethyl 2-[1-(4-methylsulfonylphenyl)ethylamino]propanoate
CID 61498386
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine
CID 112800115
N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide
CID 60925806

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine?
The IUPAC name of 2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine (CID 115724383) is 2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine is CCOC(C)CNC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine?
The InChIKey is PEYLBXMPZIHMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-5-18-11(2)10-15-12(3)13-6-8-14(9-7-13)19(4,16)17/h6-9,11-12,15H,5,10H2,1-4H3.
What are the key properties of 2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine?
2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115724383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).