1-[4-(difluoromethoxy)cyclohexyl]-N-methylmethanamine

C9H17F2NO — CID 84720027

IUPAC1-[4-(difluoromethoxy)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(OC(F)F)CC1
InChIInChI=1S/C9H17F2NO/c1-12-6-7-2-4-8(5-3-7)13-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeyNUSVVEFOZRHSDJ-UHFFFAOYSA-N
MW193.24 g/mol
LogP2.00
Rot. Bonds4

About 1-[4-(difluoromethoxy)cyclohexyl]-N-methylmethanamine

1-[4-(difluoromethoxy)cyclohexyl]-N-methylmethanamine (PubChem CID 84720027) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)cyclohexyl]-N-methylmethanamine
PubChem CID84720027
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-[4-(difluoromethoxy)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(OC(F)F)CC1
InChIInChI=1S/C9H17F2NO/c1-12-6-7-2-4-8(5-3-7)13-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeyNUSVVEFOZRHSDJ-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 52.00
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-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine
CID 156872224
N,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine
CID 163418992
4-(difluoromethoxy)-N,1-dimethylcyclohexan-1-amine
CID 167021565
N-(5-methylheptan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748976
N-ethyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083057
2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083441
N,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55084087
2-ethyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62514154
N-(2-methylpropyl)-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62528148

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(difluoromethoxy)cyclohexyl]-N-methylmethanamine (CID 84720027) is 1-[4-(difluoromethoxy)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)cyclohexyl]-N-methylmethanamine is CNCC1CCC(OC(F)F)CC1.
What is the InChIKey of 1-[4-(difluoromethoxy)cyclohexyl]-N-methylmethanamine?
The InChIKey is NUSVVEFOZRHSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-12-6-7-2-4-8(5-3-7)13-9(10)11/h7-9,12H,2-6H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)cyclohexyl]-N-methylmethanamine?
1-[4-(difluoromethoxy)cyclohexyl]-N-methylmethanamine has a molecular weight of 193.24 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 84720027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).