3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine

C11H16F3N3O — CID 103474473

IUPAC3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine
SMILESCNC(COCC(F)(F)F)Cc1cnccc1N
InChIInChI=1S/C11H16F3N3O/c1-16-9(6-18-7-11(12,13)14)4-8-5-17-3-2-10(8)15/h2-3,5,9,16H,4,6-7H2,1H3,(H2,15,17)
InChIKeyOXANFWYBPNHXEQ-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.37
Rot. Bonds6

About 3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine

3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine (PubChem CID 103474473) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine
PubChem CID103474473
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine
SMILESCNC(COCC(F)(F)F)Cc1cnccc1N
InChIInChI=1S/C11H16F3N3O/c1-16-9(6-18-7-11(12,13)14)4-8-5-17-3-2-10(8)15/h2-3,5,9,16H,4,6-7H2,1H3,(H2,15,17)
InChIKeyOXANFWYBPNHXEQ-UHFFFAOYSA-N
XLogP1.37
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5,5,5-trifluoro-2-hydrazinylpentyl)pyridin-4-amine
CID 105249119
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216517
1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 107309192
1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214931
1-(4-bromo-2-chlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216239
1-(2,6-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214865
3-[3-ethoxy-3-ethyl-2-(methylamino)pentyl]pyridin-4-amine
CID 116760021
3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine
CID 66056891
1-(furan-3-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216126
1-(3,4-dimethylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214766
3-(2-hydrazinyl-3-methylbutyl)pyridin-4-amine
CID 105199730
N-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215703

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine?
The IUPAC name of 3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine (CID 103474473) is 3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine?
The canonical SMILES for 3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine is CNC(COCC(F)(F)F)Cc1cnccc1N.
What is the InChIKey of 3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine?
The InChIKey is OXANFWYBPNHXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-16-9(6-18-7-11(12,13)14)4-8-5-17-3-2-10(8)15/h2-3,5,9,16H,4,6-7H2,1H3,(H2,15,17).
What are the key properties of 3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine?
3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine has a molecular weight of 263.26 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine is sourced from PubChem (CID 103474473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).