1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine

C14H22F3NO — CID 105179436

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(C1=COCCC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H22F3NO/c1-18-13(10-5-4-8-19-9-10)11-6-2-3-7-12(11)14(15,16)17/h9,11-13,18H,2-8H2,1H3
InChIKeyDQEOPHYIBZRAGF-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.64
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine

1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105179436) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105179436
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(C1=COCCC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H22F3NO/c1-18-13(10-5-4-8-19-9-10)11-6-2-3-7-12(11)14(15,16)17/h9,11-13,18H,2-8H2,1H3
InChIKeyDQEOPHYIBZRAGF-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105147062
2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 105033530
3-cyclohexyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylpropan-1-amine
CID 105033095
1-(3,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105140403
N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105179256
1-(2,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105145370
N-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105090899
[3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232413
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 113370615
N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 106657478
N-[6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105033146
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 113370610

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine (CID 105179436) is 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine is CNC(C1=COCCC1)C1CCCCC1C(F)(F)F.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is DQEOPHYIBZRAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO/c1-18-13(10-5-4-8-19-9-10)11-6-2-3-7-12(11)14(15,16)17/h9,11-13,18H,2-8H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine?
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 277.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105179436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).