(1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine

C15H15Cl2FN2 — CID 81402040

IUPAC(1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine
SMILESCC(N[C@H](C)c1ccccn1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C15H15Cl2FN2/c1-9(13-5-3-4-8-19-13)20-10(2)14-11(16)6-7-12(18)15(14)17/h3-10,20H,1-2H3/t9-,10?/m1/s1
InChIKeyDHCGCRZOWGCLFU-YHMJZVADSA-N
MW313.20 g/mol
LogP4.94
Rot. Bonds4

About (1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine

(1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine (PubChem CID 81402040) has the molecular formula C15H15Cl2FN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is (1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine
PubChem CID81402040
Molecular FormulaC15H15Cl2FN2
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name(1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine
SMILESCC(N[C@H](C)c1ccccn1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C15H15Cl2FN2/c1-9(13-5-3-4-8-19-13)20-10(2)14-11(16)6-7-12(18)15(14)17/h3-10,20H,1-2H3/t9-,10?/m1/s1
InChIKeyDHCGCRZOWGCLFU-YHMJZVADSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
1-(2-chloro-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401324
3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 43119234
N-[1-(2,5-difluorophenyl)ethyl]-1-pyridin-2-ylethanamine
CID 43202625
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 63478494
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1,3-thiazol-2-amine
CID 112731160
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]but-3-yn-2-amine
CID 114415090
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 79040070
1-(4-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]propan-1-amine
CID 81401492
1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine
CID 43545128

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine (CID 81402040) is (1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine is CC(N[C@H](C)c1ccccn1)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of (1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine?
The InChIKey is DHCGCRZOWGCLFU-YHMJZVADSA-N. The full InChI is InChI=1S/C15H15Cl2FN2/c1-9(13-5-3-4-8-19-13)20-10(2)14-11(16)6-7-12(18)15(14)17/h3-10,20H,1-2H3/t9-,10?/m1/s1.
What are the key properties of (1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine?
(1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine has a molecular weight of 313.20 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 81402040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).