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

C12H17F3N2O — CID 55095222

IUPAC4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine
SMILESCOc1c(C)cnc(CC(N)CC(F)(F)F)c1C
InChIInChI=1S/C12H17F3N2O/c1-7-6-17-10(8(2)11(7)18-3)4-9(16)5-12(13,14)15/h6,9H,4-5,16H2,1-3H3
InChIKeyHGKXTCQESOKCPJ-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.53
Rot. Bonds4

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

4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine (PubChem CID 55095222) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine
PubChem CID55095222
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine
SMILESCOc1c(C)cnc(CC(N)CC(F)(F)F)c1C
InChIInChI=1S/C12H17F3N2O/c1-7-6-17-10(8(2)11(7)18-3)4-9(16)5-12(13,14)15/h6,9H,4-5,16H2,1-3H3
InChIKeyHGKXTCQESOKCPJ-UHFFFAOYSA-N
XLogP2.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine with MolForge

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Related Compounds

2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine
CID 116660339
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
CID 115844000
1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
CID 79493128
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102927982
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 83139283
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine
CID 62604362
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrimidin-5-ylethanamine
CID 102923368
3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine
CID 79058596
2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine
CID 79447743

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine (CID 55095222) is 4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine is COc1c(C)cnc(CC(N)CC(F)(F)F)c1C.
What is the InChIKey of 4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine?
The InChIKey is HGKXTCQESOKCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-7-6-17-10(8(2)11(7)18-3)4-9(16)5-12(13,14)15/h6,9H,4-5,16H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine?
4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine has a molecular weight of 262.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine is sourced from PubChem (CID 55095222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).