N-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine

C14H19F3N2O — CID 102708423

IUPACN-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCNC(c1cnccc1C(F)(F)F)C1(C)CCCCO1
InChIInChI=1S/C14H19F3N2O/c1-13(6-3-4-8-20-13)12(18-2)10-9-19-7-5-11(10)14(15,16)17/h5,7,9,12,18H,3-4,6,8H2,1-2H3
InChIKeyCNWSKMXVHFSRFL-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.32
Rot. Bonds3

About N-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine

N-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102708423) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102708423
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCNC(c1cnccc1C(F)(F)F)C1(C)CCCCO1
InChIInChI=1S/C14H19F3N2O/c1-13(6-3-4-8-20-13)12(18-2)10-9-19-7-5-11(10)14(15,16)17/h5,7,9,12,18H,3-4,6,8H2,1-2H3
InChIKeyCNWSKMXVHFSRFL-UHFFFAOYSA-N
XLogP3.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylcyclohexyl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106830738
N-[(2-methyloxan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102708424
N-[(2-methylthiolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102710043
N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine
CID 80683443
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 107289167
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine
CID 81224497
1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 80684144
2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 103517276
[(2,2-dimethylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 107195010
[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine
CID 107292381
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102708423) is N-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine is CNC(c1cnccc1C(F)(F)F)C1(C)CCCCO1.
What is the InChIKey of N-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is CNWSKMXVHFSRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-13(6-3-4-8-20-13)12(18-2)10-9-19-7-5-11(10)14(15,16)17/h5,7,9,12,18H,3-4,6,8H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
N-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 288.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102708423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).