1-(2,4-dichloro-5-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanamine

C14H13Cl2FN2 — CID 115373843

IUPAC1-(2,4-dichloro-5-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCc1cncc(C(C)(N)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C14H13Cl2FN2/c1-8-3-9(7-19-6-8)14(2,18)10-4-13(17)12(16)5-11(10)15/h3-7H,18H2,1-2H3
InChIKeyQFASKMLATJSRLB-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.06
Rot. Bonds2

About 1-(2,4-dichloro-5-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanamine

1-(2,4-dichloro-5-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanamine (PubChem CID 115373843) has the molecular formula C14H13Cl2FN2 and a molecular weight of 299.18 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dichloro-5-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanamine
PubChem CID115373843
Molecular FormulaC14H13Cl2FN2
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC Name1-(2,4-dichloro-5-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCc1cncc(C(C)(N)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C14H13Cl2FN2/c1-8-3-9(7-19-6-8)14(2,18)10-4-13(17)12(16)5-11(10)15/h3-7H,18H2,1-2H3
InChIKeyQFASKMLATJSRLB-UHFFFAOYSA-N
XLogP4.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 54.06
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-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine
CID 54933232
1-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylethanamine
CID 65100095
1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63408241
1-(2,4-dichloro-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanol
CID 63407138
1-(2,4-dichloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62794899
1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 62963746
1-(2-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 54967285
2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine
CID 60929261
2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine
CID 131580102
2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 61056644
1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene
CID 175360558
1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 54967235

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanamine (CID 115373843) is 1-(2,4-dichloro-5-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2,4-dichloro-5-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 1-(2,4-dichloro-5-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanamine is Cc1cncc(C(C)(N)c2cc(F)c(Cl)cc2Cl)c1.
What is the InChIKey of 1-(2,4-dichloro-5-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanamine?
The InChIKey is QFASKMLATJSRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2/c1-8-3-9(7-19-6-8)14(2,18)10-4-13(17)12(16)5-11(10)15/h3-7H,18H2,1-2H3.
What are the key properties of 1-(2,4-dichloro-5-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanamine?
1-(2,4-dichloro-5-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanamine has a molecular weight of 299.18 g/mol, XLogP of 4.06, 2 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)-1-(5-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 115373843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).