3-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine

C11H21F2NO — CID 84724790

IUPAC3-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine
SMILESCNCCC(OC(F)F)C1CCCCC1
InChIInChI=1S/C11H21F2NO/c1-14-8-7-10(15-11(12)13)9-5-3-2-4-6-9/h9-11,14H,2-8H2,1H3
InChIKeyBUHVFHWIIJNQOR-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.78
Rot. Bonds6

About 3-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine

3-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine (PubChem CID 84724790) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 3-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine
PubChem CID84724790
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name3-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine
SMILESCNCCC(OC(F)F)C1CCCCC1
InChIInChI=1S/C11H21F2NO/c1-14-8-7-10(15-11(12)13)9-5-3-2-4-6-9/h9-11,14H,2-8H2,1H3
InChIKeyBUHVFHWIIJNQOR-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.78
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
1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine
CID 90980813
[2-(Trifluoromethoxy)cyclohexyl]methanamine
CID 140478902
(2-Fluoro-6-methoxycyclohexyl)methanamine
CID 140479012
N-butyl-5,5-difluoro-6-methoxy-4,7-dimethyloctan-1-amine
CID 146228722
(5-Fluoro-2-methoxycyclohexyl)methanamine
CID 156542195
[2-(2,2,2-Trifluoroethoxy)cyclohexyl]methanamine
CID 43428741
3-(2-Ethylcyclohexyl)oxy-4,4,4-trifluorobutan-1-amine
CID 43753306
4,4,4-Trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine
CID 43753308
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962223
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095357

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine?
The IUPAC name of 3-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine (CID 84724790) is 3-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 3-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine?
The canonical SMILES for 3-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine is CNCCC(OC(F)F)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine?
The InChIKey is BUHVFHWIIJNQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-14-8-7-10(15-11(12)13)9-5-3-2-4-6-9/h9-11,14H,2-8H2,1H3.
What are the key properties of 3-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine?
3-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine has a molecular weight of 221.29 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 84724790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).