2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine

C16H25NO2S — CID 64654768

IUPAC2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(N)C(C)S(=O)C2CCCCC2)cc1
InChIInChI=1S/C16H25NO2S/c1-12(20(18)15-6-4-3-5-7-15)16(17)13-8-10-14(19-2)11-9-13/h8-12,15-16H,3-7,17H2,1-2H3
InChIKeyXFLDWFMQLNZDCO-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.16
Rot. Bonds5

About 2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine

2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 64654768) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine
PubChem CID64654768
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(N)C(C)S(=O)C2CCCCC2)cc1
InChIInChI=1S/C16H25NO2S/c1-12(20(18)15-6-4-3-5-7-15)16(17)13-8-10-14(19-2)11-9-13/h8-12,15-16H,3-7,17H2,1-2H3
InChIKeyXFLDWFMQLNZDCO-UHFFFAOYSA-N
XLogP3.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfinyl-1-phenylpropan-1-amine
CID 64654149
3-cyclopentylsulfinylbutan-2-amine
CID 64655431
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
CID 171160552
2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine
CID 64657292
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
2-(3,4-dimethylcyclohexyl)oxy-1-(4-methoxyphenyl)propan-1-amine
CID 64746715
2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64675196
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
3-amino-3-(4-methoxyphenyl)-2-methylpropanamide
CID 67167673
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 55066538
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
[cyclohexyl-(4-methoxyphenyl)methyl]hydrazine
CID 105190838

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine (CID 64654768) is 2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine is COc1ccc(C(N)C(C)S(=O)C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is XFLDWFMQLNZDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-12(20(18)15-6-4-3-5-7-15)16(17)13-8-10-14(19-2)11-9-13/h8-12,15-16H,3-7,17H2,1-2H3.
What are the key properties of 2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine?
2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 64654768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).