N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine

C17H27NOS — CID 103784544

IUPACN-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine
SMILESCOc1cc(C)ccc1C(C)NC1CCCC(SC)C1
InChIInChI=1S/C17H27NOS/c1-12-8-9-16(17(10-12)19-3)13(2)18-14-6-5-7-15(11-14)20-4/h8-10,13-15,18H,5-7,11H2,1-4H3
InChIKeyNEMUSLBGAINMOO-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.33
Rot. Bonds5

About N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine

N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine (PubChem CID 103784544) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine
PubChem CID103784544
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine
SMILESCOc1cc(C)ccc1C(C)NC1CCCC(SC)C1
InChIInChI=1S/C17H27NOS/c1-12-8-9-16(17(10-12)19-3)13(2)18-14-6-5-7-15(11-14)20-4/h8-10,13-15,18H,5-7,11H2,1-4H3
InChIKeyNEMUSLBGAINMOO-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethylsulfanyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]cyclopentan-1-amine
CID 103787286
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786676
N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113262284
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892474
N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine
CID 114122278
N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
CID 43189974
3-[1-(2-methoxy-4-methylphenyl)ethylamino]azepan-2-one
CID 43782069
1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 80559992
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103786780
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103926269
N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 113261809
2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzene-1,4-diol
CID 114122802

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine (CID 103784544) is N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine is COc1cc(C)ccc1C(C)NC1CCCC(SC)C1.
What is the InChIKey of N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine?
The InChIKey is NEMUSLBGAINMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-12-8-9-16(17(10-12)19-3)13(2)18-14-6-5-7-15(11-14)20-4/h8-10,13-15,18H,5-7,11H2,1-4H3.
What are the key properties of N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine?
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 103784544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).