N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine

C12H17F3N2O — CID 115680860

IUPACN-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)COCCNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H17F3N2O/c1-9(2)8-18-6-5-17-11-7-10(3-4-16-11)12(13,14)15/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyWGHWTXDPFARSIP-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.18
Rot. Bonds6

About N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine

N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 115680860) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID115680860
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)COCCNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H17F3N2O/c1-9(2)8-18-6-5-17-11-7-10(3-4-16-11)12(13,14)15/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyWGHWTXDPFARSIP-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[4-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetic acid
CID 79456751
4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886
2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine
CID 114151133
N-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66328499
2-chloro-N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)aniline
CID 106452025
N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 115586276
N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115715774
N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
N-[2-(2-methylpropoxy)ethyl]pyrazin-2-amine
CID 115586229
N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine
CID 103081298
N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328524

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine (CID 115680860) is N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine is CC(C)COCCNc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WGHWTXDPFARSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-9(2)8-18-6-5-17-11-7-10(3-4-16-11)12(13,14)15/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 262.27 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 N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115680860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).