1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine

C15H15Cl2FN2 — CID 60913070

IUPAC1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
SMILESCC(NCCc1cccnc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2FN2/c1-10(12-7-15(18)14(17)8-13(12)16)20-6-4-11-3-2-5-19-9-11/h2-3,5,7-10,20H,4,6H2,1H3
InChIKeySPQZPBKEWHDPEF-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.42
Rot. Bonds5

About 1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine

1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine (PubChem CID 60913070) has the molecular formula C15H15Cl2FN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
PubChem CID60913070
Molecular FormulaC15H15Cl2FN2
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
SMILESCC(NCCc1cccnc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2FN2/c1-10(12-7-15(18)14(17)8-13(12)16)20-6-4-11-3-2-5-19-9-11/h2-3,5,7-10,20H,4,6H2,1H3
InChIKeySPQZPBKEWHDPEF-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.42
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-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60913072
1-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60895907
1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43223896
N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 60913402
3-chloro-4-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 83107487
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,4-dichloro-5-fluorophenyl)ethanamine
CID 106041218
1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709037
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butan-1-ol
CID 106840626
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]octan-1-amine
CID 115566984
1-(2,4-dichloro-5-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 60694556
1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82733903
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
The IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine (CID 60913070) is 1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine.
What is the SMILES notation for 1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
The canonical SMILES for 1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine is CC(NCCc1cccnc1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
The InChIKey is SPQZPBKEWHDPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2FN2/c1-10(12-7-15(18)14(17)8-13(12)16)20-6-4-11-3-2-5-19-9-11/h2-3,5,7-10,20H,4,6H2,1H3.
What are the key properties of 1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine?
1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine has a molecular weight of 313.20 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine is sourced from PubChem (CID 60913070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).