2-[3-(difluoromethoxy)cyclohexyl]-N-methylethanamine

C10H19F2NO — CID 84722399

IUPAC2-[3-(difluoromethoxy)cyclohexyl]-N-methylethanamine
SMILESCNCCC1CCCC(OC(F)F)C1
InChIInChI=1S/C10H19F2NO/c1-13-6-5-8-3-2-4-9(7-8)14-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyZFMVUJKPXKPQNH-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.39
Rot. Bonds5

About 2-[3-(difluoromethoxy)cyclohexyl]-N-methylethanamine

2-[3-(difluoromethoxy)cyclohexyl]-N-methylethanamine (PubChem CID 84722399) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)cyclohexyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)cyclohexyl]-N-methylethanamine
PubChem CID84722399
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name2-[3-(difluoromethoxy)cyclohexyl]-N-methylethanamine
SMILESCNCCC1CCCC(OC(F)F)C1
InChIInChI=1S/C10H19F2NO/c1-13-6-5-8-3-2-4-9(7-8)14-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyZFMVUJKPXKPQNH-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

1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine
CID 90980813
trans-N-methyl-1-[4-(trifluoromethoxy)cyclohexyl]methanamine
CID 137346893
N-[[4-(trifluoromethoxy)cyclohexyl]methyl]ethanamine
CID 178674575
N-[[4-(trifluoromethoxy)cyclohexyl]methyl]propan-2-amine
CID 178674715
molecular hydrogen;N-[[4-(trifluoromethoxy)cyclohexyl]methyl]propan-2-amine
CID 178674722
N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961822
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095357
N-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62528926
2-(3-ethylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 64257410
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine
CID 81027088
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine
CID 81027904
N-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 81028103

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)cyclohexyl]-N-methylethanamine?
The IUPAC name of 2-[3-(difluoromethoxy)cyclohexyl]-N-methylethanamine (CID 84722399) is 2-[3-(difluoromethoxy)cyclohexyl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(difluoromethoxy)cyclohexyl]-N-methylethanamine?
The canonical SMILES for 2-[3-(difluoromethoxy)cyclohexyl]-N-methylethanamine is CNCCC1CCCC(OC(F)F)C1.
What is the InChIKey of 2-[3-(difluoromethoxy)cyclohexyl]-N-methylethanamine?
The InChIKey is ZFMVUJKPXKPQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-13-6-5-8-3-2-4-9(7-8)14-10(11)12/h8-10,13H,2-7H2,1H3.
What are the key properties of 2-[3-(difluoromethoxy)cyclohexyl]-N-methylethanamine?
2-[3-(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-[3-(difluoromethoxy)cyclohexyl]-N-methylethanamine is sourced from PubChem (CID 84722399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).