N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine

C16H18ClFN2 — CID 103936838

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCC(N[C@H](C)c1ccccc1Cl)c1ccc(F)cn1
InChIInChI=1S/C16H18ClFN2/c1-3-15(16-9-8-12(18)10-19-16)20-11(2)13-6-4-5-7-14(13)17/h4-11,15,20H,3H2,1-2H3/t11-,15?/m1/s1
InChIKeyGHFKRVRBVYUFEA-ZRKZCGFPSA-N
MW292.79 g/mol
LogP4.68
Rot. Bonds5

About N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine

N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine (PubChem CID 103936838) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
PubChem CID103936838
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCC(N[C@H](C)c1ccccc1Cl)c1ccc(F)cn1
InChIInChI=1S/C16H18ClFN2/c1-3-15(16-9-8-12(18)10-19-16)20-11(2)13-6-4-5-7-14(13)17/h4-11,15,20H,3H2,1-2H3/t11-,15?/m1/s1
InChIKeyGHFKRVRBVYUFEA-ZRKZCGFPSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)propan-2-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938502
N-[1-(4-ethylphenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938518
1-(5-fluoro-2-pyridinyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 103936857
3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582927
1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
CID 114158466
2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol
CID 81377530
1-[2-[1-(5-fluoro-2-pyridinyl)propylamino]phenyl]ethanol
CID 115938696
N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine
CID 115938566
1-(5-fluoro-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 115938648
(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 103948862
1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 112583060
2-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 112582914

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine (CID 103936838) is N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine is CCC(N[C@H](C)c1ccccc1Cl)c1ccc(F)cn1.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The InChIKey is GHFKRVRBVYUFEA-ZRKZCGFPSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-3-15(16-9-8-12(18)10-19-16)20-11(2)13-6-4-5-7-14(13)17/h4-11,15,20H,3H2,1-2H3/t11-,15?/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine?
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine has a molecular weight of 292.79 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 103936838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).