N-ethyl-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine

C10H13F3N2 — CID 162617603

IUPACN-ethyl-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine
SMILESCCNC(C)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C10H13F3N2/c1-3-14-7(2)8-4-5-15-9(6-8)10(11,12)13/h4-7,14H,3H2,1-2H3
InChIKeyWOZNEFZQTJHSCN-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.77
Rot. Bonds3

About N-ethyl-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine

N-ethyl-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine (PubChem CID 162617603) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N-ethyl-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine
PubChem CID162617603
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC NameN-ethyl-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine
SMILESCCNC(C)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C10H13F3N2/c1-3-14-7(2)8-4-5-15-9(6-8)10(11,12)13/h4-7,14H,3H2,1-2H3
InChIKeyWOZNEFZQTJHSCN-UHFFFAOYSA-N
XLogP2.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine
CID 97053211
(S)-2-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide
CID 134237967
2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide
CID 134229696
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylethanamine
CID 115781012
N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethanamine
CID 106447924
2-(tert-butylamino)-1-[2-(1,1-difluoroethyl)-4-pyridinyl]ethanol
CID 162747525
N-ethyl-1-quinolin-7-ylethanamine
CID 81221005
(1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine
CID 58900711
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diol;iron
CID 169008945
N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine
CID 66328316
N-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine
CID 113431753
1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine
CID 146144972

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine (CID 162617603) is N-ethyl-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine is CCNC(C)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine?
The InChIKey is WOZNEFZQTJHSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-3-14-7(2)8-4-5-15-9(6-8)10(11,12)13/h4-7,14H,3H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine?
N-ethyl-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine has a molecular weight of 218.22 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine is sourced from PubChem (CID 162617603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).