(1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine

C15H15Cl2FN2 — CID 81405415

IUPAC(1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(N[C@H](C)c1ccncc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2FN2/c1-9(11-3-5-19-6-4-11)20-10(2)12-7-15(18)14(17)8-13(12)16/h3-10,20H,1-2H3/t9-,10?/m1/s1
InChIKeyCVLXVBHNEIFKFE-YHMJZVADSA-N
MW313.20 g/mol
LogP4.94
Rot. Bonds4

About (1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine

(1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine (PubChem CID 81405415) has the molecular formula C15H15Cl2FN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is (1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
PubChem CID81405415
Molecular FormulaC15H15Cl2FN2
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name(1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(N[C@H](C)c1ccncc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2FN2/c1-9(11-3-5-19-6-4-11)20-10(2)12-7-15(18)14(17)8-13(12)16/h3-10,20H,1-2H3/t9-,10?/m1/s1
InChIKeyCVLXVBHNEIFKFE-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

N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 63448794
1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43223896
(1S)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81369974
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81380816
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43767888
(1S)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81364650
1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine
CID 43780236
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 103775505
1-(2,4-dichloro-5-fluorophenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 43783892
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine (CID 81405415) is (1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine is CC(N[C@H](C)c1ccncc1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of (1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine?
The InChIKey is CVLXVBHNEIFKFE-YHMJZVADSA-N. The full InChI is InChI=1S/C15H15Cl2FN2/c1-9(11-3-5-19-6-4-11)20-10(2)12-7-15(18)14(17)8-13(12)16/h3-10,20H,1-2H3/t9-,10?/m1/s1.
What are the key properties of (1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine?
(1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-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-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81405415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).