N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine

C16H25NO2S — CID 103776401

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCOc1ccc(OCCNC2CCCCC2SC)cc1
InChIInChI=1S/C16H25NO2S/c1-18-13-7-9-14(10-8-13)19-12-11-17-15-5-3-4-6-16(15)20-2/h7-10,15-17H,3-6,11-12H2,1-2H3
InChIKeyXVDXVWXFJKBZNO-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.34
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine

N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine (PubChem CID 103776401) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
PubChem CID103776401
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCOc1ccc(OCCNC2CCCCC2SC)cc1
InChIInChI=1S/C16H25NO2S/c1-18-13-7-9-14(10-8-13)19-12-11-17-15-5-3-4-6-16(15)20-2/h7-10,15-17H,3-6,11-12H2,1-2H3
InChIKeyXVDXVWXFJKBZNO-UHFFFAOYSA-N
XLogP3.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103775345
N-[2-(2-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103775995
2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine
CID 64621896
N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 115712458
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931438
N-[2-(4-methoxyphenoxy)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83021772
N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786632
N-[2-(4-methoxyphenoxy)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358262
2-(2-phenoxyethylamino)cyclohexan-1-ol
CID 54943356
1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 110991331
N-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103779518
N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine
CID 63648269

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine (CID 103776401) is N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine is COc1ccc(OCCNC2CCCCC2SC)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is XVDXVWXFJKBZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-18-13-7-9-14(10-8-13)19-12-11-17-15-5-3-4-6-16(15)20-2/h7-10,15-17H,3-6,11-12H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine?
N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 103776401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).