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

C14H13Cl2FN2 — CID 43223896

IUPAC1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCC(NCc1ccncc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2FN2/c1-9(19-8-10-2-4-18-5-3-10)11-6-14(17)13(16)7-12(11)15/h2-7,9,19H,8H2,1H3
InChIKeyHXGUBLNALBWATH-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.38
Rot. Bonds4

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

1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 43223896) has the molecular formula C14H13Cl2FN2 and a molecular weight of 299.18 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID43223896
Molecular FormulaC14H13Cl2FN2
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC Name1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCC(NCc1ccncc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2FN2/c1-9(19-8-10-2-4-18-5-3-10)11-6-14(17)13(16)7-12(11)15/h2-7,9,19H,8H2,1H3
InChIKeyHXGUBLNALBWATH-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 54.38
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-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 82889677
(1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405415
1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60913070
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405552
1-(2,4-dichloro-5-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62999160
1-(2,4-dichloro-5-fluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)ethanamine
CID 139013842
1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82733903
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,4-dichloro-5-fluorophenyl)ethanamine
CID 106041218
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]octan-1-amine
CID 115566984
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butan-1-ol
CID 106840626
1-(2,4-dichloro-5-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 60694556
1-(2,4-dichloro-5-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103912719

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine (CID 43223896) is 1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine is CC(NCc1ccncc1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is HXGUBLNALBWATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2/c1-9(19-8-10-2-4-18-5-3-10)11-6-14(17)13(16)7-12(11)15/h2-7,9,19H,8H2,1H3.
What are the key properties of 1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine?
1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 299.18 g/mol, XLogP of 4.38, 4 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-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 43223896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).