N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C12H15F3N2O — CID 114158904

IUPACN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCOc1cc(C)nc(CNC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C12H15F3N2O/c1-8-5-10(18-2)6-9(17-8)7-16-11(3-4-11)12(13,14)15/h5-6,16H,3-4,7H2,1-2H3
InChIKeyGVWQRZVRCHZCGE-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.58
Rot. Bonds4

About N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 114158904) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID114158904
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCOc1cc(C)nc(CNC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C12H15F3N2O/c1-8-5-10(18-2)6-9(17-8)7-16-11(3-4-11)12(13,14)15/h5-6,16H,3-4,7H2,1-2H3
InChIKeyGVWQRZVRCHZCGE-UHFFFAOYSA-N
XLogP2.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-methylcyclopentan-1-amine
CID 82892831
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 82893513
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
1-(4-methoxy-6-methyl-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103933097
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methyloxan-3-amine
CID 113354519
2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 103529375
[1-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]cyclopentyl]methanol
CID 82893618
5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 82893914
[1-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]cyclohexyl]methanol
CID 115924168
N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine
CID 83235465
1-(4-methoxy-6-methyl-2-pyridinyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 82893756
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine
CID 82893583

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 114158904) is N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is COc1cc(C)nc(CNC2(C(F)(F)F)CC2)c1.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is GVWQRZVRCHZCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8-5-10(18-2)6-9(17-8)7-16-11(3-4-11)12(13,14)15/h5-6,16H,3-4,7H2,1-2H3.
What are the key properties of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 260.26 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 114158904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).