N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine

C14H15ClFN3 — CID 105395384

IUPACN-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
SMILESCCNC(c1ccnc(C)n1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H15ClFN3/c1-3-17-14(13-6-7-18-9(2)19-13)11-8-10(16)4-5-12(11)15/h4-8,14,17H,3H2,1-2H3
InChIKeyUSDMJALUOFKCPU-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.28
Rot. Bonds4

About N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine

N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine (PubChem CID 105395384) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
PubChem CID105395384
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC NameN-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
SMILESCCNC(c1ccnc(C)n1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H15ClFN3/c1-3-17-14(13-6-7-18-9(2)19-13)11-8-10(16)4-5-12(11)15/h4-8,14,17H,3H2,1-2H3
InChIKeyUSDMJALUOFKCPU-UHFFFAOYSA-N
XLogP3.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 115530861
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107977844
N-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine
CID 105395319
N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833612
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 105395359
N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine
CID 107103191
2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 102619243
N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105397113
N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 113329606
N-[(5-fluoro-2-methylphenyl)-pyridin-2-ylmethyl]ethanamine
CID 62791700
N-[(2-chloro-5-fluorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105396828
N-[isoquinolin-4-yl-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 115530931

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine (CID 105395384) is N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine is CCNC(c1ccnc(C)n1)c1cc(F)ccc1Cl.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine?
The InChIKey is USDMJALUOFKCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-3-17-14(13-6-7-18-9(2)19-13)11-8-10(16)4-5-12(11)15/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine?
N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine has a molecular weight of 279.75 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 105395384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).