N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine

C16H17F3N2 — CID 102708716

IUPACN-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine
SMILESCCNC(C)c1ccccc1-c1cnccc1C(F)(F)F
InChIInChI=1S/C16H17F3N2/c1-3-21-11(2)12-6-4-5-7-13(12)14-10-20-9-8-15(14)16(17,18)19/h4-11,21H,3H2,1-2H3
InChIKeyHOXGCPNVFCAWQX-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.44
Rot. Bonds4

About N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine

N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine (PubChem CID 102708716) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine
PubChem CID102708716
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC NameN-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine
SMILESCCNC(C)c1ccccc1-c1cnccc1C(F)(F)F
InChIInChI=1S/C16H17F3N2/c1-3-21-11(2)12-6-4-5-7-13(12)14-10-20-9-8-15(14)16(17,18)19/h4-11,21H,3H2,1-2H3
InChIKeyHOXGCPNVFCAWQX-UHFFFAOYSA-N
XLogP4.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine (CID 102708716) is N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine is CCNC(C)c1ccccc1-c1cnccc1C(F)(F)F.
What is the InChIKey of N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine?
The InChIKey is HOXGCPNVFCAWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-3-21-11(2)12-6-4-5-7-13(12)14-10-20-9-8-15(14)16(17,18)19/h4-11,21H,3H2,1-2H3.
What are the key properties of N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine?
N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine has a molecular weight of 294.32 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine is sourced from PubChem (CID 102708716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).