1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine

C16H17Cl2FN2 — CID 82733903

IUPAC1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
SMILESCCc1cccnc1CNC(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2FN2/c1-3-11-5-4-6-20-16(11)9-21-10(2)12-7-15(19)14(18)8-13(12)17/h4-8,10,21H,3,9H2,1-2H3
InChIKeyOFEJVNXNUMYCLQ-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.94
Rot. Bonds5

About 1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine

1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine (PubChem CID 82733903) has the molecular formula C16H17Cl2FN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
PubChem CID82733903
Molecular FormulaC16H17Cl2FN2
Molecular Weight327.23 g/mol
Exact Mass326.08
IUPAC Name1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
SMILESCCc1cccnc1CNC(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2FN2/c1-3-11-5-4-6-20-16(11)9-21-10(2)12-7-15(19)14(18)8-13(12)17/h4-8,10,21H,3,9H2,1-2H3
InChIKeyOFEJVNXNUMYCLQ-UHFFFAOYSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
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-(5-chlorothiophen-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 114082779
1-(2,4-dichloro-5-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43223896
1-(4-chloro-3-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82732090
5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707041
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 82733612
N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 82732936
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994436
1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82732749
1-(2,4-dichloro-5-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60913070
1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82733301
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]octan-1-amine
CID 115566984
N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 82732360

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine (CID 82733903) is 1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine is CCc1cccnc1CNC(C)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is OFEJVNXNUMYCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2FN2/c1-3-11-5-4-6-20-16(11)9-21-10(2)12-7-15(19)14(18)8-13(12)17/h4-8,10,21H,3,9H2,1-2H3.
What are the key properties of 1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine?
1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 327.23 g/mol, XLogP of 4.94, 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-[(3-ethyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 82733903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).