1,1,1-trifluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylpropan-2-amine

C14H21F3N2O — CID 115844014

IUPAC1,1,1-trifluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ncc(C)c(OC)c1C)C(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-5-6-18-12(14(15,16)17)7-11-10(3)13(20-4)9(2)8-19-11/h8,12,18H,5-7H2,1-4H3
InChIKeyUKOHNLBDPFJFOI-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.18
Rot. Bonds6

About 1,1,1-trifluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylpropan-2-amine

1,1,1-trifluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylpropan-2-amine (PubChem CID 115844014) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylpropan-2-amine
PubChem CID115844014
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name1,1,1-trifluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ncc(C)c(OC)c1C)C(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-5-6-18-12(14(15,16)17)7-11-10(3)13(20-4)9(2)8-19-11/h8,12,18H,5-7H2,1-4H3
InChIKeyUKOHNLBDPFJFOI-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylhexan-2-amine
CID 79412204
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 115601880
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,3,3-trimethylpentan-2-amine
CID 115843940
3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 62531087
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine
CID 55095222
N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfanylpropan-2-amine
CID 62691956
N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine
CID 116719078
N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
CID 115843933
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine
CID 79447743
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 62505902

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylpropan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylpropan-2-amine (CID 115844014) is 1,1,1-trifluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylpropan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylpropan-2-amine is CCCNC(Cc1ncc(C)c(OC)c1C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylpropan-2-amine?
The InChIKey is UKOHNLBDPFJFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-5-6-18-12(14(15,16)17)7-11-10(3)13(20-4)9(2)8-19-11/h8,12,18H,5-7H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylpropan-2-amine?
1,1,1-trifluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylpropan-2-amine has a molecular weight of 290.33 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylpropan-2-amine is sourced from PubChem (CID 115844014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).