3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine

C18H21F3N2O3 — CID 69228001

IUPAC3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine
SMILESCOc1cc(OC(F)(F)F)ccc1-c1nc(OC)c(CCCN)cc1C
InChIInChI=1S/C18H21F3N2O3/c1-11-9-12(5-4-8-22)17(25-3)23-16(11)14-7-6-13(10-15(14)24-2)26-18(19,20)21/h6-7,9-10H,4-5,8,22H2,1-3H3
InChIKeyFKOYDLFIDHOIFU-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.86
Rot. Bonds7

About 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine

3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine (PubChem CID 69228001) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine
PubChem CID69228001
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Name3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine
SMILESCOc1cc(OC(F)(F)F)ccc1-c1nc(OC)c(CCCN)cc1C
InChIInChI=1S/C18H21F3N2O3/c1-11-9-12(5-4-8-22)17(25-3)23-16(11)14-7-6-13(10-15(14)24-2)26-18(19,20)21/h6-7,9-10H,4-5,8,22H2,1-3H3
InChIKeyFKOYDLFIDHOIFU-UHFFFAOYSA-N
XLogP3.86
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine
CID 143015150
ethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol
CID 159011762
3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid
CID 22490071
3-fluoro-1-(1-methoxypropan-2-yl)-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methylpyrrolo[3,2-b]pyridine
CID 11486728
1-[(2S)-1-methoxybutan-2-yl]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3,6-dimethylpyrrolo[3,2-b]pyridine
CID 58703226
2-(3-aminopropyl)-4-(trifluoromethoxy)aniline
CID 170867746
3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804534
2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 142189252
(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride
CID 171216555
(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride
CID 171236189
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyrazin-3-one
CID 59995647
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine?
The IUPAC name of 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine (CID 69228001) is 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine.
What is the SMILES notation for 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine?
The canonical SMILES for 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine is COc1cc(OC(F)(F)F)ccc1-c1nc(OC)c(CCCN)cc1C.
What is the InChIKey of 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine?
The InChIKey is FKOYDLFIDHOIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c1-11-9-12(5-4-8-22)17(25-3)23-16(11)14-7-6-13(10-15(14)24-2)26-18(19,20)21/h6-7,9-10H,4-5,8,22H2,1-3H3.
What are the key properties of 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine?
3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine has a molecular weight of 370.37 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine is sourced from PubChem (CID 69228001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).