1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine

C15H16ClFN2 — CID 81454386

IUPAC1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine
SMILESCCNC(Cc1ccncc1)c1cccc(F)c1Cl
InChIInChI=1S/C15H16ClFN2/c1-2-19-14(10-11-6-8-18-9-7-11)12-4-3-5-13(17)15(12)16/h3-9,14,19H,2,10H2,1H3
InChIKeyIZUOTUFTYTVXKQ-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.77
Rot. Bonds5

About 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine

1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine (PubChem CID 81454386) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine
PubChem CID81454386
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine
SMILESCCNC(Cc1ccncc1)c1cccc(F)c1Cl
InChIInChI=1S/C15H16ClFN2/c1-2-19-14(10-11-6-8-18-9-7-11)12-4-3-5-13(17)15(12)16/h3-9,14,19H,2,10H2,1H3
InChIKeyIZUOTUFTYTVXKQ-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
1-(2-chlorofuran-3-yl)-N-ethyl-2-pyridin-4-ylethanamine
CID 106688072
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 81453728
1-(2-chloro-3-fluorophenyl)-2-pyridin-4-ylethanamine
CID 81454296
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 81454498
1-(2-chloro-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839959
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029261
1-(2,3-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 62791096
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878334
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81454622
2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 115818794
1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622933

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine (CID 81454386) is 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine is CCNC(Cc1ccncc1)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine?
The InChIKey is IZUOTUFTYTVXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-2-19-14(10-11-6-8-18-9-7-11)12-4-3-5-13(17)15(12)16/h3-9,14,19H,2,10H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine?
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine has a molecular weight of 278.76 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 81454386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).