N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine

C16H20FN3 — CID 105373741

IUPACN-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1C)c1ncccn1
InChIInChI=1S/C16H20FN3/c1-3-7-18-15(16-19-8-4-9-20-16)11-13-10-14(17)6-5-12(13)2/h4-6,8-10,15,18H,3,7,11H2,1-2H3
InChIKeyRCAAPZYPMMYOBR-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.21
Rot. Bonds6

About N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine

N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine (PubChem CID 105373741) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
PubChem CID105373741
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC NameN-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1C)c1ncccn1
InChIInChI=1S/C16H20FN3/c1-3-7-18-15(16-19-8-4-9-20-16)11-13-10-14(17)6-5-12(13)2/h4-6,8-10,15,18H,3,7,11H2,1-2H3
InChIKeyRCAAPZYPMMYOBR-UHFFFAOYSA-N
XLogP3.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chloro-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 103444762
N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105377437
N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 62603776
3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 81269673
N-[1-(2,4-difluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496285
2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine
CID 105373657
N-[1-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105373665
N-[1-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105377138
N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 107308457
1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
CID 105373717
N-[1-(2-chloro-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63420114
N-[1-(2-bromo-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528107

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine (CID 105373741) is N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine is CCCNC(Cc1cc(F)ccc1C)c1ncccn1.
What is the InChIKey of N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine?
The InChIKey is RCAAPZYPMMYOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-3-7-18-15(16-19-8-4-9-20-16)11-13-10-14(17)6-5-12(13)2/h4-6,8-10,15,18H,3,7,11H2,1-2H3.
What are the key properties of N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine?
N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 105373741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).