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

C16H25NO2S — CID 103775995

IUPACN-[2-(2-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCOc1ccccc1OCCNC1CCCCC1SC
InChIInChI=1S/C16H25NO2S/c1-18-14-8-4-5-9-15(14)19-12-11-17-13-7-3-6-10-16(13)20-2/h4-5,8-9,13,16-17H,3,6-7,10-12H2,1-2H3
InChIKeyRJEBHMBDSKBNMC-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.34
Rot. Bonds7

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

N-[2-(2-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine (PubChem CID 103775995) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
PubChem CID103775995
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCOc1ccccc1OCCNC1CCCCC1SC
InChIInChI=1S/C16H25NO2S/c1-18-14-8-4-5-9-15(14)19-12-11-17-13-7-3-6-10-16(13)20-2/h4-5,8-9,13,16-17H,3,6-7,10-12H2,1-2H3
InChIKeyRJEBHMBDSKBNMC-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'}

Analyze N-[2-(2-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-methoxyphenoxy)ethylamino]cyclohexan-1-ol
CID 60714828
N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776401
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103775345
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 115712458
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776706
N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine
CID 63649255
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931438
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
CID 62571722
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
methyl 2-[[(2-methylsulfanylcyclohexyl)amino]methyl]benzoate
CID 103923201

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine (CID 103775995) is N-[2-(2-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine is COc1ccccc1OCCNC1CCCCC1SC.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is RJEBHMBDSKBNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-18-14-8-4-5-9-15(14)19-12-11-17-13-7-3-6-10-16(13)20-2/h4-5,8-9,13,16-17H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine?
N-[2-(2-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-(2-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 103775995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).