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

C19H25NO3S — CID 119165186

IUPAC1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine
SMILESCOc1ccccc1CC(C)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H25NO3S/c1-14(13-17-7-5-6-8-19(17)23-3)20-15(2)16-9-11-18(12-10-16)24(4,21)22/h5-12,14-15,20H,13H2,1-4H3
InChIKeyLOIXHBZIJGROKO-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.38
Rot. Bonds7

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

1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine (PubChem CID 119165186) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine
PubChem CID119165186
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine
SMILESCOc1ccccc1CC(C)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H25NO3S/c1-14(13-17-7-5-6-8-19(17)23-3)20-15(2)16-9-11-18(12-10-16)24(4,21)22/h5-12,14-15,20H,13H2,1-4H3
InChIKeyLOIXHBZIJGROKO-UHFFFAOYSA-N
XLogP3.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine
CID 119165092
N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
CID 63452997
N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide
CID 47070223
2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096228
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide
CID 47071877
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 104652788
1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 115721693
1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine
CID 60936055
1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 62473638
2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide
CID 106344173
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 107354281

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine (CID 119165186) is 1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine is COc1ccccc1CC(C)NC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine?
The InChIKey is LOIXHBZIJGROKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-14(13-17-7-5-6-8-19(17)23-3)20-15(2)16-9-11-18(12-10-16)24(4,21)22/h5-12,14-15,20H,13H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine?
1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine has a molecular weight of 347.48 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 119165186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).