2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine

C14H15ClFN3 — CID 114855706

IUPAC2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccncn1
InChIInChI=1S/C14H15ClFN3/c1-2-18-14(13-5-6-17-9-19-13)7-10-3-4-11(15)8-12(10)16/h3-6,8-9,14,18H,2,7H2,1H3
InChIKeyNZQXMWVFHOUBML-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.16
Rot. Bonds5

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

2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine (PubChem CID 114855706) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
PubChem CID114855706
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccncn1
InChIInChI=1S/C14H15ClFN3/c1-2-18-14(13-5-6-17-9-19-13)7-10-3-4-11(15)8-12(10)16/h3-6,8-9,14,18H,2,7H2,1H3
InChIKeyNZQXMWVFHOUBML-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chloro-2-fluorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 114855708
2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988553
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine
CID 114855242
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 114856477
2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988550
1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine
CID 114855618
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374657
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283
2-(4-chloro-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105055242
N-[2-(4-chloro-2-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine
CID 114856789
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 104793956
2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-ethylethanamine
CID 105055557

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine (CID 114855706) is 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine is CCNC(Cc1ccc(Cl)cc1F)c1ccncn1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine?
The InChIKey is NZQXMWVFHOUBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-2-18-14(13-5-6-17-9-19-13)7-10-3-4-11(15)8-12(10)16/h3-6,8-9,14,18H,2,7H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine?
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine has a molecular weight of 279.75 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 114855706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).