ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine

C19H29F3N2 — CID 145107737

IUPACethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
SMILESCC.CC.CC.NC(c1ccc(C(F)(F)F)cc1)c1ccccn1
InChIInChI=1S/C13H11F3N2.3C2H6/c14-13(15,16)10-6-4-9(5-7-10)12(17)11-3-1-2-8-18-11;3*1-2/h1-8,12H,17H2;3*1-2H3
InChIKeyFBRDPLPBJKINBE-UHFFFAOYSA-N
MW342.45 g/mol
LogP6.23
Rot. Bonds2

About ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine

ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 145107737) has the molecular formula C19H29F3N2 and a molecular weight of 342.45 g/mol. Its IUPAC name is ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Nameethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID145107737
Molecular FormulaC19H29F3N2
Molecular Weight342.45 g/mol
Exact Mass342.23
IUPAC Nameethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
SMILESCC.CC.CC.NC(c1ccc(C(F)(F)F)cc1)c1ccccn1
InChIInChI=1S/C13H11F3N2.3C2H6/c14-13(15,16)10-6-4-9(5-7-10)12(17)11-3-1-2-8-18-11;3*1-2/h1-8,12H,17H2;3*1-2H3
InChIKeyFBRDPLPBJKINBE-UHFFFAOYSA-N
XLogP6.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.45
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 71164818
2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 162046659
(S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144422
N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 43192853
(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144280
(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 114022944
[4-[pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]phenyl] acetate
CID 162673252
(6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 102950754
2,2,2-trifluoro-1-pyridin-2-ylethanamine
CID 25219911
N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62789836
2-[(2S)-2-[4-(trifluoromethyl)phenyl]butyl]sulfonylpyridine
CID 102171414
N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 75417275

Frequently Asked Questions

What is the IUPAC name of ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine (CID 145107737) is ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine is CC.CC.CC.NC(c1ccc(C(F)(F)F)cc1)c1ccccn1.
What is the InChIKey of ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is FBRDPLPBJKINBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2.3C2H6/c14-13(15,16)10-6-4-9(5-7-10)12(17)11-3-1-2-8-18-11;3*1-2/h1-8,12H,17H2;3*1-2H3.
What are the key properties of ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine?
ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 342.45 g/mol, XLogP of 6.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 145107737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).