1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine

C16H25NO3S — CID 64673614

IUPAC1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(C(C)N)cc1CS(=O)(=O)C1CCCCC1
InChIInChI=1S/C16H25NO3S/c1-12(17)13-8-9-16(20-2)14(10-13)11-21(18,19)15-6-4-3-5-7-15/h8-10,12,15H,3-7,11,17H2,1-2H3
InChIKeyCJYFNCXBIAYIME-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.96
Rot. Bonds5

About 1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine

1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine (PubChem CID 64673614) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine
PubChem CID64673614
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(C(C)N)cc1CS(=O)(=O)C1CCCCC1
InChIInChI=1S/C16H25NO3S/c1-12(17)13-8-9-16(20-2)14(10-13)11-21(18,19)15-6-4-3-5-7-15/h8-10,12,15H,3-7,11,17H2,1-2H3
InChIKeyCJYFNCXBIAYIME-UHFFFAOYSA-N
XLogP2.96
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64673615
1-[4-methoxy-3-(3-methylbutan-2-ylsulfonylmethyl)phenyl]ethanamine
CID 107759221
ethyl 2-[[5-(1-aminoethyl)-2-methoxyphenyl]methylsulfonyl]acetate
CID 64674783
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178939
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
(1R)-1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 55191148
1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 61344621
2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64675196
1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine
CID 64626883
1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine
CID 64657070
1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine
CID 64746522
N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 60860252

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine?
The IUPAC name of 1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine (CID 64673614) is 1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine.
What is the SMILES notation for 1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine?
The canonical SMILES for 1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine is COc1ccc(C(C)N)cc1CS(=O)(=O)C1CCCCC1.
What is the InChIKey of 1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine?
The InChIKey is CJYFNCXBIAYIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-12(17)13-8-9-16(20-2)14(10-13)11-21(18,19)15-6-4-3-5-7-15/h8-10,12,15H,3-7,11,17H2,1-2H3.
What are the key properties of 1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine?
1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine has a molecular weight of 311.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 64673614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).