N-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine

C16H23F3N2 — CID 105173991

IUPACN-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(c1cncc(C)c1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H23F3N2/c1-3-21-15(13-7-11(2)9-20-10-13)12-5-4-6-14(8-12)16(17,18)19/h7,9-10,12,14-15,21H,3-6,8H2,1-2H3
InChIKeyQRGFWAAZYKZUPL-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.41
Rot. Bonds4

About N-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine

N-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine (PubChem CID 105173991) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
PubChem CID105173991
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(c1cncc(C)c1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H23F3N2/c1-3-21-15(13-7-11(2)9-20-10-13)12-5-4-6-14(8-12)16(17,18)19/h7,9-10,12,14-15,21H,3-6,8H2,1-2H3
InChIKeyQRGFWAAZYKZUPL-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105155633
N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105109287
1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105102442
N-[cyclopentyl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374362
N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine
CID 105022970
2-cyclopropyl-N-ethyl-1-(5-methyl-3-pyridinyl)propan-1-amine
CID 105022949
[(5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324276
[cyclopentyl-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105204323
N-[(5-methyl-3-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105170790
N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704680
N-[(2-methylcyclopentyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107190433
N-[(3-ethyl-1,4-dithian-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115388086

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine (CID 105173991) is N-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine is CCNC(c1cncc(C)c1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is QRGFWAAZYKZUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-3-21-15(13-7-11(2)9-20-10-13)12-5-4-6-14(8-12)16(17,18)19/h7,9-10,12,14-15,21H,3-6,8H2,1-2H3.
What are the key properties of N-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
N-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 300.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 105173991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).