[4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine

C15H23NO2S — CID 81328051

IUPAC[4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine
SMILESNCc1ccc(OCCS(=O)C2CCCCC2)cc1
InChIInChI=1S/C15H23NO2S/c16-12-13-6-8-14(9-7-13)18-10-11-19(17)15-4-2-1-3-5-15/h6-9,15H,1-5,10-12,16H2
InChIKeyBGRVBZZKCWIMDV-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.61
Rot. Bonds6

About [4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine

[4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine (PubChem CID 81328051) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is [4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine
PubChem CID81328051
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name[4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine
SMILESNCc1ccc(OCCS(=O)C2CCCCC2)cc1
InChIInChI=1S/C15H23NO2S/c16-12-13-6-8-14(9-7-13)18-10-11-19(17)15-4-2-1-3-5-15/h6-9,15H,1-5,10-12,16H2
InChIKeyBGRVBZZKCWIMDV-UHFFFAOYSA-N
XLogP2.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-(cyclopentylmethylsulfinyl)propoxy]phenyl]methanamine
CID 81334034
[4-(2-cyclohexyloxyethoxy)phenyl]methanamine
CID 43253949
[4-(2-cycloheptyloxyethoxy)phenyl]methanamine
CID 61069915
4-(3-cyclopentylsulfinylpropoxy)benzonitrile
CID 64690105
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
[3-(cyclopentylsulfinylmethyl)phenyl]methanamine
CID 81333401
[4-(2-butan-2-ylsulfinylethoxy)phenyl]methanamine
CID 81328321
[4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine
CID 81328224
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
[4-[2-(3-chlorophenyl)sulfinylethoxy]phenyl]methanamine
CID 81332770
[4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine
CID 106200284
[1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol
CID 116634275

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine?
The IUPAC name of [4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine (CID 81328051) is [4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine.
What is the SMILES notation for [4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine?
The canonical SMILES for [4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine is NCc1ccc(OCCS(=O)C2CCCCC2)cc1.
What is the InChIKey of [4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine?
The InChIKey is BGRVBZZKCWIMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c16-12-13-6-8-14(9-7-13)18-10-11-19(17)15-4-2-1-3-5-15/h6-9,15H,1-5,10-12,16H2.
What are the key properties of [4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine?
[4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine has a molecular weight of 281.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine is sourced from PubChem (CID 81328051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).