(1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]-2-(2,5-difluorophenyl)ethanamine

C19H15ClF2N2 — CID 44561010

IUPAC(1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]-2-(2,5-difluorophenyl)ethanamine
SMILESN[C@H](Cc1cc(F)ccc1F)c1ccc(-c2ccncc2Cl)cc1
InChIInChI=1S/C19H15ClF2N2/c20-17-11-24-8-7-16(17)12-1-3-13(4-2-12)19(23)10-14-9-15(21)5-6-18(14)22/h1-9,11,19H,10,23H2/t19-/m1/s1
InChIKeyVNBJBRMNEWHOQK-LJQANCHMSA-N
MW344.79 g/mol
LogP4.92
Rot. Bonds4

About (1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]-2-(2,5-difluorophenyl)ethanamine

(1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]-2-(2,5-difluorophenyl)ethanamine (PubChem CID 44561010) has the molecular formula C19H15ClF2N2 and a molecular weight of 344.79 g/mol. Its IUPAC name is (1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]-2-(2,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]-2-(2,5-difluorophenyl)ethanamine
PubChem CID44561010
Molecular FormulaC19H15ClF2N2
Molecular Weight344.79 g/mol
Exact Mass344.09
IUPAC Name(1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]-2-(2,5-difluorophenyl)ethanamine
SMILESN[C@H](Cc1cc(F)ccc1F)c1ccc(-c2ccncc2Cl)cc1
InChIInChI=1S/C19H15ClF2N2/c20-17-11-24-8-7-16(17)12-1-3-13(4-2-12)19(23)10-14-9-15(21)5-6-18(14)22/h1-9,11,19H,10,23H2/t19-/m1/s1
InChIKeyVNBJBRMNEWHOQK-LJQANCHMSA-N
XLogP4.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4'-(Pyridin-4-ylmethyl)biphenyl-3-amine
CID 46901444
4-((3'',4''-Difluorobiphenyl-4-yl)methyl)pyridine
CID 46901616
4-(4''-Fluoro-biphenyl-4-ylmethyl)pyridine
CID 49864196
7-(6-Chloro-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486336
2-Chloro-5-phenylpyridine
CID 2762868
4''-(Pyridin-4-ylmethyl)biphenyl-4-amine
CID 46901443
Rac-2-(5-(4-chlorophenyl)-6-fluoropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane hydrochloride
CID 11779720
Rac-2-(5-(3-chlorophenyl)-6-fluoropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane hydrochloride
CID 44393478
5-(6-Chloro-3-pyridinyl)-2-azabicyclo[2.2.2]octane
CID 44395274
(1R,2R,4R)-2-[6-chloro-5-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
CID 44427410
(1R,2R,4R)-2-[6-chloro-5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
CID 44427414
(1R,2R,4S)-2-(6-chloro-5-(4-fluorophenyl)pyridin-3-yl)-7-azabicyclo[2.2.1]heptane
CID 45378542

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]-2-(2,5-difluorophenyl)ethanamine?
The IUPAC name of (1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]-2-(2,5-difluorophenyl)ethanamine (CID 44561010) is (1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]-2-(2,5-difluorophenyl)ethanamine.
What is the SMILES notation for (1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]-2-(2,5-difluorophenyl)ethanamine?
The canonical SMILES for (1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]-2-(2,5-difluorophenyl)ethanamine is N[C@H](Cc1cc(F)ccc1F)c1ccc(-c2ccncc2Cl)cc1.
What is the InChIKey of (1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]-2-(2,5-difluorophenyl)ethanamine?
The InChIKey is VNBJBRMNEWHOQK-LJQANCHMSA-N. The full InChI is InChI=1S/C19H15ClF2N2/c20-17-11-24-8-7-16(17)12-1-3-13(4-2-12)19(23)10-14-9-15(21)5-6-18(14)22/h1-9,11,19H,10,23H2/t19-/m1/s1.
What are the key properties of (1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]-2-(2,5-difluorophenyl)ethanamine?
(1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]-2-(2,5-difluorophenyl)ethanamine has a molecular weight of 344.79 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]-2-(2,5-difluorophenyl)ethanamine is sourced from PubChem (CID 44561010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).