2-[4-(difluoromethoxy)cyclohexyl]-N-methylethanamine

C10H19F2NO — CID 84722409

IUPAC2-[4-(difluoromethoxy)cyclohexyl]-N-methylethanamine
SMILESCNCCC1CCC(OC(F)F)CC1
InChIInChI=1S/C10H19F2NO/c1-13-7-6-8-2-4-9(5-3-8)14-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyYEOWDIZQQKYIOX-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.39
Rot. Bonds5

About 2-[4-(difluoromethoxy)cyclohexyl]-N-methylethanamine

2-[4-(difluoromethoxy)cyclohexyl]-N-methylethanamine (PubChem CID 84722409) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)cyclohexyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)cyclohexyl]-N-methylethanamine
PubChem CID84722409
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name2-[4-(difluoromethoxy)cyclohexyl]-N-methylethanamine
SMILESCNCCC1CCC(OC(F)F)CC1
InChIInChI=1S/C10H19F2NO/c1-13-7-6-8-2-4-9(5-3-8)14-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyYEOWDIZQQKYIOX-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-N-methyl-3-[4-(trifluoromethyl)cyclohexyl]oxypropan-1-amine
CID 44228828
[4-(Trifluoromethoxy)cyclohexyl]methanamine
CID 137347145
N-butyl-5,5-difluoro-6-methoxy-4,7-dimethyloctan-1-amine
CID 146228722
N,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine
CID 163418992
4-(difluoromethoxy)-N,1-dimethylcyclohexan-1-amine
CID 167021565
N,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 167021574
N-[2-(4-ethoxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide
CID 174797414
4,4,4-Trifluoro-3-(4-methylcyclohexyl)oxybutan-1-amine
CID 43753305
N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 55036776
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62110586
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 62110752
1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine
CID 62110922

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)cyclohexyl]-N-methylethanamine?
The IUPAC name of 2-[4-(difluoromethoxy)cyclohexyl]-N-methylethanamine (CID 84722409) is 2-[4-(difluoromethoxy)cyclohexyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(difluoromethoxy)cyclohexyl]-N-methylethanamine?
The canonical SMILES for 2-[4-(difluoromethoxy)cyclohexyl]-N-methylethanamine is CNCCC1CCC(OC(F)F)CC1.
What is the InChIKey of 2-[4-(difluoromethoxy)cyclohexyl]-N-methylethanamine?
The InChIKey is YEOWDIZQQKYIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-13-7-6-8-2-4-9(5-3-8)14-10(11)12/h8-10,13H,2-7H2,1H3.
What are the key properties of 2-[4-(difluoromethoxy)cyclohexyl]-N-methylethanamine?
2-[4-(difluoromethoxy)cyclohexyl]-N-methylethanamine has a molecular weight of 207.26 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)cyclohexyl]-N-methylethanamine is sourced from PubChem (CID 84722409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).