1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine

C17H19F3N2O2 — CID 141213834

IUPAC1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine
SMILESCOc1ccc(C(N)CCc2ccc(C(F)(F)F)nc2)cc1OC
InChIInChI=1S/C17H19F3N2O2/c1-23-14-7-5-12(9-15(14)24-2)13(21)6-3-11-4-8-16(22-10-11)17(18,19)20/h4-5,7-10,13H,3,6,21H2,1-2H3
InChIKeyGZDAHESHBMNPAK-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.75
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine

1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine (PubChem CID 141213834) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine
PubChem CID141213834
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine
SMILESCOc1ccc(C(N)CCc2ccc(C(F)(F)F)nc2)cc1OC
InChIInChI=1S/C17H19F3N2O2/c1-23-14-7-5-12(9-15(14)24-2)13(21)6-3-11-4-8-16(22-10-11)17(18,19)20/h4-5,7-10,13H,3,6,21H2,1-2H3
InChIKeyGZDAHESHBMNPAK-UHFFFAOYSA-N
XLogP3.75
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
(2S)-2-[[(1S)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide
CID 87567034
1-N-[1-(5-fluoro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1-(4-fluorophenyl)-2-N-methylprop-2-ene-1,2-diamine
CID 89284953
1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434
1-[3,4-di(propan-2-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 141213821
2-(4-chlorophenyl)-2-[[(1R)-1-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methylacetamide
CID 68769486
(2S)-2-(4-chlorophenyl)-2-[[(1S)-1-(4-fluoro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methylacetamide
CID 68769484
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
(2S)-2-[[(1S)-1-(4-chloro-3-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-chlorophenyl)-N-methylacetamide
CID 68768522
1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
CID 83162187
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine (CID 141213834) is 1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine is COc1ccc(C(N)CCc2ccc(C(F)(F)F)nc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
The InChIKey is GZDAHESHBMNPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-23-14-7-5-12(9-15(14)24-2)13(21)6-3-11-4-8-16(22-10-11)17(18,19)20/h4-5,7-10,13H,3,6,21H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine?
1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine has a molecular weight of 340.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine is sourced from PubChem (CID 141213834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).