(1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine

C15H16ClFN2 — CID 103578530

IUPAC(1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1cccc(Cl)c1)c1cncc(F)c1
InChIInChI=1S/C15H16ClFN2/c1-10(12-4-3-5-14(16)6-12)19-11(2)13-7-15(17)9-18-8-13/h3-11,19H,1-2H3/t10-,11?/m1/s1
InChIKeyKZBVOJZYAWQHNP-NFJWQWPMSA-N
MW278.76 g/mol
LogP4.29
Rot. Bonds4

About (1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine

(1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine (PubChem CID 103578530) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
PubChem CID103578530
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name(1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1cccc(Cl)c1)c1cncc(F)c1
InChIInChI=1S/C15H16ClFN2/c1-10(12-4-3-5-14(16)6-12)19-11(2)13-7-15(17)9-18-8-13/h3-11,19H,1-2H3/t10-,11?/m1/s1
InChIKeyKZBVOJZYAWQHNP-NFJWQWPMSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 54967436
(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 83069629
1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
CID 103779508
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 43767407
(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81365988
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81366687
N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine
CID 102867952
2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline
CID 72566162
2-[1-[1-(3-chlorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107710455

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine (CID 103578530) is (1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine is CC(N[C@H](C)c1cccc(Cl)c1)c1cncc(F)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine?
The InChIKey is KZBVOJZYAWQHNP-NFJWQWPMSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-10(12-4-3-5-14(16)6-12)19-11(2)13-7-15(17)9-18-8-13/h3-11,19H,1-2H3/t10-,11?/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine?
(1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine has a molecular weight of 278.76 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine is sourced from PubChem (CID 103578530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).