1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine

C14H13F3N2 — CID 63051180

IUPAC1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)c(F)c(F)c1)c1ccccn1
InChIInChI=1S/C14H13F3N2/c1-9(13-4-2-3-5-18-13)19-8-10-6-11(15)14(17)12(16)7-10/h2-7,9,19H,8H2,1H3
InChIKeyRXQRLKRUMDUSDS-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.35
Rot. Bonds4

About 1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine

1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine (PubChem CID 63051180) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
PubChem CID63051180
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)c(F)c(F)c1)c1ccccn1
InChIInChI=1S/C14H13F3N2/c1-9(13-4-2-3-5-18-13)19-8-10-6-11(15)14(17)12(16)7-10/h2-7,9,19H,8H2,1H3
InChIKeyRXQRLKRUMDUSDS-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 78978043
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81402354
(1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine
CID 115350727
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 47008253
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1R)-1-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81402120
(1S)-N-[(3-fluoro-5-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 103954488
1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051050
1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43181287
(1S)-1-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437978

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine?
The IUPAC name of 1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine (CID 63051180) is 1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine is CC(NCc1cc(F)c(F)c(F)c1)c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine?
The InChIKey is RXQRLKRUMDUSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c1-9(13-4-2-3-5-18-13)19-8-10-6-11(15)14(17)12(16)7-10/h2-7,9,19H,8H2,1H3.
What are the key properties of 1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine?
1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine has a molecular weight of 266.27 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 63051180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).