N-benzhydryl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine

C21H20F3N3 — CID 170330978

IUPACN-benzhydryl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine
SMILESCNC(c1ccc(NC(c2ccccc2)c2ccccc2)cn1)C(F)(F)F
InChIInChI=1S/C21H20F3N3/c1-25-20(21(22,23)24)18-13-12-17(14-26-18)27-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,19-20,25,27H,1H3
InChIKeyJFHWOJPTPXPYIV-UHFFFAOYSA-N
MW371.41 g/mol
LogP5.11
Rot. Bonds6

About N-benzhydryl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine

N-benzhydryl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine (PubChem CID 170330978) has the molecular formula C21H20F3N3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-benzhydryl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine.

Molecular Properties

Compound NameN-benzhydryl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine
PubChem CID170330978
Molecular FormulaC21H20F3N3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-benzhydryl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine
SMILESCNC(c1ccc(NC(c2ccccc2)c2ccccc2)cn1)C(F)(F)F
InChIInChI=1S/C21H20F3N3/c1-25-20(21(22,23)24)18-13-12-17(14-26-18)27-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,19-20,25,27H,1H3
InChIKeyJFHWOJPTPXPYIV-UHFFFAOYSA-N
XLogP5.11
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.41
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]-6-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine
CID 170331342
(3S)-N-[(1S)-1-[5-(benzhydrylamino)-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 170331724
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine
CID 170331408
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
N-methyl-1-(5-methylpyrazin-2-yl)-1-phenylmethanamine
CID 105083750
2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine
CID 43481495
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712823
4-[(2,2,2-trifluoro-1-phenylethyl)amino]benzoic acid
CID 132516842
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 79713415
3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline
CID 15310332
1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105087924

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine?
The IUPAC name of N-benzhydryl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine (CID 170330978) is N-benzhydryl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine.
What is the SMILES notation for N-benzhydryl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine?
The canonical SMILES for N-benzhydryl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine is CNC(c1ccc(NC(c2ccccc2)c2ccccc2)cn1)C(F)(F)F.
What is the InChIKey of N-benzhydryl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine?
The InChIKey is JFHWOJPTPXPYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3/c1-25-20(21(22,23)24)18-13-12-17(14-26-18)27-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,19-20,25,27H,1H3.
What are the key properties of N-benzhydryl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine?
N-benzhydryl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine has a molecular weight of 371.41 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine is sourced from PubChem (CID 170330978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).