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

C14H22F3NO — CID 105179435

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(C1=COCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H22F3NO/c1-18-13(11-3-2-8-19-9-11)10-4-6-12(7-5-10)14(15,16)17/h9-10,12-13,18H,2-8H2,1H3
InChIKeyDAMMMLZNVFSMFQ-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.64
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105179435) 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-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105179435
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(C1=COCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H22F3NO/c1-18-13(11-3-2-8-19-9-11)10-4-6-12(7-5-10)14(15,16)17/h9-10,12-13,18H,2-8H2,1H3
InChIKeyDAMMMLZNVFSMFQ-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-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312261
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312262
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 104058658
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 104058659
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 104058660
1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 104059227
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 104059228
1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104059229
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 105179251
N-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105179253
N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105179256
N-[3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105179285

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105179435) is 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine is CNC(C1=COCCC1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is DAMMMLZNVFSMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO/c1-18-13(11-3-2-8-19-9-11)10-4-6-12(7-5-10)14(15,16)17/h9-10,12-13,18H,2-8H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[4-(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-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105179435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).