1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine

C22H21ClF2N2 — CID 143474285

IUPAC1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)(c1cccc(C(C)(F)F)c1)c1ccc(Cl)cn1
InChIInChI=1S/C22H21ClF2N2/c1-21(24,25)17-9-6-10-18(13-17)22(26-2,14-16-7-4-3-5-8-16)20-12-11-19(23)15-27-20/h3-13,15,26H,14H2,1-2H3
InChIKeyNPCZLXCMMYFQJO-UHFFFAOYSA-N
MW386.87 g/mol
LogP5.55
Rot. Bonds6

About 1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine

1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine (PubChem CID 143474285) has the molecular formula C22H21ClF2N2 and a molecular weight of 386.87 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine
PubChem CID143474285
Molecular FormulaC22H21ClF2N2
Molecular Weight386.87 g/mol
Exact Mass386.14
IUPAC Name1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)(c1cccc(C(C)(F)F)c1)c1ccc(Cl)cn1
InChIInChI=1S/C22H21ClF2N2/c1-21(24,25)17-9-6-10-18(13-17)22(26-2,14-16-7-4-3-5-8-16)20-12-11-19(23)15-27-20/h3-13,15,26H,14H2,1-2H3
InChIKeyNPCZLXCMMYFQJO-UHFFFAOYSA-N
XLogP5.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.87
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3,3-dimethylbutanamide
CID 58920064
3-chloro-5-[[[1-[3-(1,1-difluoroethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]amino]-dimethylidene-λ6-sulfanyl]aniline
CID 143473799
N-[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 58921299
1-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 58921476
N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-2-methylpropan-1-amine
CID 58920848
1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 58921540
1-[[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]ethanol
CID 143474316
N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine
CID 59134677
(2S)-1-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]propan-2-ol
CID 58920354
1-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(4-cyanophenyl)urea
CID 58920642
1-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]ethyl]-3-phenylurea
CID 143473137
N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-phenylprop-2-yn-1-amine
CID 58920095

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine (CID 143474285) is 1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine is CNC(Cc1ccccc1)(c1cccc(C(C)(F)F)c1)c1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine?
The InChIKey is NPCZLXCMMYFQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF2N2/c1-21(24,25)17-9-6-10-18(13-17)22(26-2,14-16-7-4-3-5-8-16)20-12-11-19(23)15-27-20/h3-13,15,26H,14H2,1-2H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine?
1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine has a molecular weight of 386.87 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine is sourced from PubChem (CID 143474285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).