2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

C10H18F3NOS — CID 106426795

IUPAC2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCOC1CCCCC1NCCSC(F)(F)F
InChIInChI=1S/C10H18F3NOS/c1-15-9-5-3-2-4-8(9)14-6-7-16-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyASKNFYFVYPJFIG-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.79
Rot. Bonds5

About 2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 106426795) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID106426795
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCOC1CCCCC1NCCSC(F)(F)F
InChIInChI=1S/C10H18F3NOS/c1-15-9-5-3-2-4-8(9)14-6-7-16-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyASKNFYFVYPJFIG-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 43755109
2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116618109
2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 106427092
trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
CID 93280859
2-piperidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 106426945
N-(cyclopropylmethyl)-2-methoxycyclohexan-1-amine
CID 43756809
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine
CID 115751228
N-ethyl-2-methoxycyclopentan-1-amine
CID 53276122
trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 791642
2-methoxy-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 43771411
N-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine
CID 43770852
2-methoxy-N-(3-piperidin-1-ylpropyl)cyclohexan-1-amine
CID 43768293

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (CID 106426795) is 2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is COC1CCCCC1NCCSC(F)(F)F.
What is the InChIKey of 2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is ASKNFYFVYPJFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-15-9-5-3-2-4-8(9)14-6-7-16-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 106426795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).